SCHEMBL878133

SCHEMBL878133

FC(F)(F)C1CNCCN1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.53
SLC6A4 P31645 3/20 0.53
SLC6A3 Q01959 3/20 0.53
ADRB1 P08588 2/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR2C P28335 13/20 0.42
HTR2B P41595 12/20 0.42
HTR2A P28223 8/20 0.39
ALDH1A1 P00352 1/20 0.37
HTR1D P28221 1/20 0.37

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 SCHEMBL28145406 0.98 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL31638970 0.89 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR3EHTR3B
SCHEMBL30958500 0.84 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL38661363 0.84 ADRB2 (0.46) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL20141340 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL21360371 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL21360373 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL29079676 0.78 SIRT6 (0.52) ADRB1ALDH1A1
SCHEMBL2454158 0.77 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3ADRB1HTR3E
SCHEMBL4563401 0.77 PLD1 (0.50) ADRB1HTR2CHTR2BHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
CN-1122035-C Antiparasitic artemisinin derivatives (endoperoxides) BAYER AG (DE) 2003-09-24 CN claimed
CN-1317006-A Antiparasitic artemisinin derivatives (endoperoxides) BAYER AG (DE) 2001-10-10 CN claimed
JP-2000506513-A 2000-05-30 JP claimed
EP-0880532-A4 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1999-06-09 EP claimed
EP-0880532-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1998-12-02 EP claimed
EP-0804443-A4 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1998-04-29 EP claimed
EP-0804443-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-11-05 EP claimed
WO-1997028168-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-08-07 WO claimed
WO-1996022297-A9 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS 1996-10-03 WO claimed
WO-1996022297-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1996-07-25 WO claimed
EP-4049017-B1 APPARATUS AND METHOD FOR DETERMINATION OF BANNED SUBSTANCES TALLINN UNIV OF TECHNOLOGY (EE) 2025-03-26 EP disclosed
US-12111260-B2 Apparatus and method for determination of banned substances TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2024-10-08 US disclosed
CN-114085197-B Synthesis method of 4- (3-trifluoromethyl phenyl) -1-piperazine-ethanol, flibanserin intermediate and flibanserin 合肥创新医药技术有限公司 2024-03-29 CN disclosed
EP-0310268-A2 Substituted cycloalkanols AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 EP disclosed
US-4042590-A ANTICHOLESTEROL CENTRE D'ETUDES POUR L'INDUSTRIE PHARMACEUTIQUE (FR) 1977-08-16 US disclosed
US-3957789-A HYPOCHOLESEROLEMIC AGENTS CENTRE D'ETUDES POUR L'INDUSTRIE PHARMACEUTIQUE (FR) 1976-05-18 US disclosed