SCHEMBL6955809

SCHEMBL6955809

Clc1ccc(Cn2cnc(Cc3ccccc3)c2)cc1.N=CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP2B6 P20813 2/20 0.39
CYP2E1 P05181 1/20 0.39
PHF8 Q9UPP1 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
KCNMA1 Q12791 2/20 0.37
MAPK1 P28482 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
SCHEMBL6952807 0.92 SIGMAR1 (0.45) HPGDSSIGMAR1CYP3A4CYP2D6CYP2C9
SCHEMBL6973877 0.88 CYP3A4 (0.45) HPGDSCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6972535 0.86 KDM4C (0.38) HPGDSCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6968013 0.86 KDM4C (0.40) HPGDSPHF8CYP11B1CYP11B2KDM5A
SCHEMBL6965586 0.85 THRB (0.39) CYP2A6CYP2B6PHF8CYP19A1CYP11B1
SCHEMBL6972346 0.85 PHF8 (0.38) HPGDSSIGMAR1CYP3A4CYP2D6CYP2C9
SCHEMBL6974237 0.85 CDK5 (0.51) SIGMAR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30741761 0.84 HPGDS (0.50) HPGDSSIGMAR1CYP3A4CYP2D6CYP2C9
SCHEMBL6968287 0.82 NR1H2 (0.38) PHF8ALDH1A1KDM5AKDM4CKDM5B
SCHEMBL6958763 0.82 PHF8 (0.34) CYP3A4CYP2D6CYP2C9CYP2C19CYP2A6

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-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-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
US-6034251-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS SCHERING CORPORATION (US) 2000-03-07 US disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed