SCHEMBL6973527

SCHEMBL6973527

CN(CCc1ccc(CCc2c[nH]cn2)cc1)C(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.46
LTB4R2 Q9NPC1 14/20 0.46
CXCR3 P49682 1/20 0.38
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
MCHR1 Q99705 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
SCHEMBL6974366 0.92 LTB4R (0.45) LTB4RLTB4R2CXCR3AOC3ALDH1A1
SCHEMBL6961731 0.91 ALDH1A1 (0.49) LTB4RLTB4R2CXCR3AOC3ALDH1A1
SCHEMBL6971987 0.85 ALDH1A1 (0.42) AOC3ALDH1A1HTTRAB9AMCHR1
SCHEMBL6969688 0.82 ALDH1A1 (0.46) AOC3ALDH1A1HTTRAB9A
SCHEMBL6972036 0.80 ALDH1A1 (0.50) CXCR3AOC3ALDH1A1HTTRAB9A
SCHEMBL224352 0.79 DAO (0.41) AOC3ALDH1A1HTT
SCHEMBL9078864 0.79 ALDH1A1 (0.37) AOC3ALDH1A1HTTRAB9A
SCHEMBL6969265 0.77 ALDH1A1 (0.41) AOC3ALDH1A1HTTRAB9AMCHR1
SCHEMBL6971280 0.76 L3MBTL1 (0.44) ALDH1A1
SCHEMBL6970345 0.76 ALDH1A1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed