Sugi Predict

Sugi Predict / Compounds / SCHEMBL4750348

SCHEMBL4750348

SCHEMBL4750348

Clc1ccc(ON2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.46
▸ HPGD P15428 3/20 0.46
▸ LIPE Q05469 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LTA4H P09960 2/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL188044 0.89 ALDH1A1 (0.41) HRH3HPGDPOLBMAPTALDH1A1
SCHEMBL22031681 0.78 HRH3 (0.39) HRH3POLBALDH1A1LTA4H
SCHEMBL10554350 0.78 ALDH1A1 (0.47) RAB9APOLBMAPTALDH1A1KDM4E
SCHEMBL7723416 0.78 ALDH1A1 (0.35) HRH3HPGDPOLBMAPTALDH1A1
SCHEMBL3164216 0.78 ALDH1A1 (0.52) HRH3HPGDPOLBMAPTALDH1A1
SCHEMBL5169785 0.78 HRH3 (0.46) HRH3RAB9AALDH1A1KDM4ELTA4H
SCHEMBL443667 0.78 HRH3 (0.45) HRH3HPGDRAB9AMAPTALDH1A1
SCHEMBL3283026 0.78 KDM4E (0.47) HRH3HPGDRAB9APOLBALDH1A1
Trifluoroacetic Acid SCHEMBL23853076 0.77 KMT2A (0.42) HRH3HPGDLIPERAB9APOLB
SCHEMBL28643916 0.77 CYP2D6 (0.41) HRH3HPGDRAB9AALDH1A1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 — — CN disclosed
CN-110177786-A Pyrazolo [1,5-A] pyridine compounds being substituted are as RET kinase inhibitor 阿雷生物药品公司 2019-08-27 — — CN disclosed
EP-3074377-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-10-05 — — EP disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 — — WO disclosed
WO-2008147764-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-12-04 — — WO disclosed
US-6455531-B1 METALLOPROTEINASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2002-09-24 — — US disclosed
EP-1237868-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS Darwin Discovery Limited (GB) 2002-09-11 — — EP disclosed
WO-2001044189-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-06-21 — — WO disclosed
EP-0934932-A1 QUINOLINE DERIVATIVES AND PSYCHOTROPIC AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-08-11 — — EP disclosed
EP-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 — — EP disclosed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 — — EP disclosed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 — — WO disclosed
EP-0541802-B1 DIPHENYLMETHYLPIPERAZINE DERIVATIVE KANEKO NOBORU (JP) 1994-10-12 — — EP disclosed
US-5304558-A Diphenylmethyl piperazine derivatives KIRIN BREWERY CO., LTD. (JP) 1994-04-19 — — US disclosed
EP-0541802-A1 DIPHENYLMETHYLPIPERAZINE DERIVATIVE KANEKO, Noboru (JP) 1993-05-19 — — EP disclosed