SCHEMBL6972818

SCHEMBL6972818

CN(C)c1cccc(Cc2cn(Cc3ccc(Cl)cc3)cn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
PHF8 Q9UPP1 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP2A6 P11509 2/20 0.35
CYP2B6 P20813 2/20 0.35
CYP19A1 P11511 1/20 0.35
HPGDS O60760 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6962477 0.84 PHF8 (0.48) PHF8NPC1SIGMAR1KDM4CCYP11B1
SCHEMBL6952807 0.80 SIGMAR1 (0.45) PHF8SIGMAR1KDM4CCYP11B1CYP11B2
SCHEMBL6974015 0.79 PHF8 (0.37) PHF8KDM4CCYP11B1CYP11B2CYP2A6
SCHEMBL6968098 0.79 PHF8 (0.37) PHF8KDM4CCYP11B1CYP11B2CYP2A6
SCHEMBL15015629 0.77 HDAC1 (0.57) CNR1HDAC1HDAC6SIGMAR1CYP3A4
SCHEMBL6968013 0.75 KDM4C (0.40) PHF8NPC1RAB9AKDM4CCYP11B1
SCHEMBL6955809 0.73 HPGDS (0.39) PHF8SIGMAR1KDM4CCYP11B1CYP11B2
SCHEMBL6972346 0.72 PHF8 (0.38) PHF8NPC1RAB9ASIGMAR1KDM4C
SCHEMBL30741761 0.72 HPGDS (0.50) PHF8NPC1RAB9ASIGMAR1KDM4C
SCHEMBL9023871 0.71 SIGMAR1 (0.44) PHF8SIGMAR1KDM4CCYP11B1CYP11B2

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 4 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
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