SCHEMBL6952807

SCHEMBL6952807

Clc1ccc(Cn2cnc(Cc3ccccc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
HPGDS O60760 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2A6 P11509 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2E1 P05181 1/20 0.43
PHF8 Q9UPP1 2/20 0.43
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
CYP19A1 P11511 3/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNMA1 Q12791 2/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL30741761 0.92 HPGDS (0.50) SIGMAR1HPGDSCYP3A4CYP2D6CYP2A6
SCHEMBL6955809 0.92 HPGDS (0.39) SIGMAR1HPGDSCYP3A4CYP2D6CYP2A6
SCHEMBL6972346 0.87 PHF8 (0.38) SIGMAR1HPGDSCYP3A4CYP2D6CYP2A6
SCHEMBL6962477 0.87 PHF8 (0.48) SIGMAR1HPGDSCYP3A4CYP2D6CYP2A6
SCHEMBL9023871 0.86 SIGMAR1 (0.44) SIGMAR1HPGDSCYP3A4CYP2D6CYP2A6
SCHEMBL6972818 0.80 CNR1 (0.39) SIGMAR1HPGDSCYP3A4CYP2D6CYP2A6
SCHEMBL11049916 0.79 HPGDS (0.43) HPGDSCYP3A4CYP2D6CYP2A6CYP2B6
SCHEMBL6973877 0.79 CYP3A4 (0.45) HPGDSCYP3A4CYP2D6CYP2A6CYP2B6
SCHEMBL9641996 0.79 CNR1 (0.39) SIGMAR1HPGDSCYP3A4CYP2D6CYP2A6
SCHEMBL28417084 0.78 HPGDS (0.50) HPGDSCYP3A4CYP2D6CYP2A6CYP2B6

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 12 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 claimed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US claimed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP claimed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO claimed
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
EP-1028948-B1 PHENYL-ALKYL-IMIDAZOLES AS H3 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-01-29 EP disclosed
EP-1028948-A1 PHENYL-ALKYL-IMIDAZOLES AS H3 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2000-08-23 EP disclosed
US-6034251-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS SCHERING CORPORATION (US) 2000-03-07 US disclosed
WO-1999024406-A1 PHENYL-ALKYL-IMIDAZOLES AS H3 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1999-05-20 WO disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed