SCHEMBL8429904

SCHEMBL8429904

CCC(=O)ON1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAAA Q02083 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL761683 1.00 P2RY12 (0.34) P2RY12L3MBTL1ALDH1A1CHRM2CHRM4
SCHEMBL762068 0.98 L3MBTL1 (0.35) P2RY12L3MBTL1ALDH1A1CHRM2CHRM4
Hydrochloric Acid SCHEMBL27501009 0.96 L3MBTL1 (0.35) P2RY12L3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL30335967 0.95
Hydrochloric Acid SCHEMBL9615011 0.93 P2RY12 (0.33) P2RY12ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL3790152 0.90
SCHEMBL8433432 0.82 ALDH1A1 (0.46) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL6847340 0.82 HTR1A (0.39) P2RY12CYP1A2TDP1KDM4E
SCHEMBL220296 0.82 ALDH1A1 (0.46) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL2963308 0.80 TSHR (0.46) L3MBTL1ALDH1A1HPGDCYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958817-A1 COMPOSITION CONTAINING DIARYLALKANE DERIVATIVE AS THE ACTIVE INGREDIENT FOR TREATING OR PREVENTING PANCREATITIS SANKYO COMPANY LIMITED (JP) 1999-11-24 EP disclosed
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0844000-A1 Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis SANKYO COMPANY LIMITED (JP) 1998-05-27 EP disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0600717-A1 Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis SANKYO COMPANY LIMITED (JP) 1994-06-08 EP disclosed