SCHEMBL40017

SCHEMBL40017

NCCc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 1.00
MAOB P27338 6/20 0.65
IDO1 P14902 2/20 0.59
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
MIF P14174 1/20 0.56
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
ACP3 P15309 1/20 0.51
DAO P14920 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10899408 0.98 TAAR1 (0.96) TAAR1MAOBIDO1HTR2AHTR2C
Iodide SCHEMBL31174197 0.98 TAAR1 (0.96) TAAR1MAOBIDO1HTR2AHTR2C
Methane SCHEMBL28404139 0.98 TAAR1 (0.96) TAAR1MAOBIDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL7318926 0.98 TAAR1 (0.96) TAAR1MAOBIDO1HTR2AHTR2C
Iodide SCHEMBL28682768 0.98 TAAR1 (0.96) TAAR1MAOBIDO1HTR2AHTR2C
Bromide SCHEMBL29203648 0.98 TAAR1 (0.96) TAAR1MAOBIDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL10899419 0.96 TAAR1 (0.93) TAAR1MAOBIDO1HTR2AHTR2C
Phenethylamine SCHEMBL10913595 0.94 TAAR1 (0.89) TAAR1MAOBIDO1HTR2AHTR2C
SCHEMBL365289 0.89 TAAR1 (0.79) TAAR1MAOBIDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL12520854 0.87 TAAR1 (0.77) TAAR1MAOBIDO1HTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 646 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118922001-A Carbon-based organic-inorganic perovskite solar cell based on 3-trifluoromethyl phenethylamine hydroiodidate modification 河北工业大学 2024-11-08 CN claimed
CN-118843336-A Method for preparing trans-perovskite solar cell through lead capturing agent interface modification 中南大学 2024-10-25 CN claimed
CN-115057883-B Two-dimensional perovskite white light material and preparation method and application thereof 吉林大学 2024-05-17 CN claimed
CN-116813497-B Amide compound and preparation method, pharmaceutical composition and application thereof 天津匠新致成科技有限公司 2023-11-14 CN claimed
CN-117043140-A Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances 拜耳公司 2023-11-10 CN claimed
WO-2023102750-A1 FENFLURAMINE HAPTEN, AND PREPARATION METHOD THEREFOR AND USE THEREOF, FENFLURAMINE HAPTEN ARTIFICIAL ANTIGEN, AND FENFLURAMINE HAPTEN ANTIBODY 华南农业大学 2023-06-15 WO claimed
CN-114276264-B Fenfluramine hapten, artificial antigen, antibody, preparation method and application thereof 华南农业大学 2022-12-16 CN claimed
CN-112094229-B Synthesis method of 6- (trifluoromethyl) isoquinoline-5-alcohol 苏州康润医药有限公司 2022-11-22 CN claimed
CN-115057883-A Two-dimensional perovskite white light material and preparation method and application thereof 吉林大学 2022-09-16 CN claimed
CN-114975897-A Alkali metal cathode with stable circulation, preparation method thereof and alkali metal battery 苏州纳谷新材料科技有限公司 2022-08-30 CN claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
WO-2004089416-A2 COMBINATION OF AN 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND AN ANTIHYPERTENSIVE AGENT NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089470-A2 NEW AMIDE DERIVATIVES AND PHARMACEUTICAL USE THEREOF NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
WO-2004089415-A2 COMBINATIONS OF AN 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITOR AND A GLUCOCORTICOID RECEPTOR AGONIST NOVO NORDISK A/S (DK) 2004-10-21 WO claimed
US-20040171554-A1 Compositions and methods for enhancing apoptosis GENENTECH, INC. 2004-09-02 US claimed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-0403360-A2 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI (FR) 1990-12-19 EP claimed
EP-0255415-A2 Use of phenylethanolamines for the preparation of medicaments acting on gastrointestinal troubles ELF SANOFI (FR) 1988-02-03 EP claimed
EP-0052963-B1 SECONDARY AMINES BEECHAM GROUP PLC (GB) 1985-02-20 EP claimed