SCHEMBL4381406

SCHEMBL4381406

Cc1ccc(CCC(CCCc2c[nH]cn2)OC(CCCc2c[nH]cn2)CCc2ccc(C)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
KCNH2 Q12809 1/20 0.31
FDFT1 P37268 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
HRH1 P35367 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
SCHEMBL4379250 0.87 HTT (0.39) TAAR1
SCHEMBL10740166 0.82 HRH1 (0.39) CYP19A1CYP1A2CYP2A6TAAR1KCNH2
SCHEMBL8118972 0.82 HMOX1 (0.34) TAAR1
SCHEMBL8114784 0.82 CYP19A1 (0.41) CYP19A1TAAR1DRD2DRD4DRD3
SCHEMBL650316 0.82 PPARG (0.38) TAAR1KCNH2DRD4DRD3HRH1
SCHEMBL8105600 0.82 CYP19A1 (0.36) CYP19A1DRD2DRD4DRD3
SCHEMBL4385144 0.80
SCHEMBL4386649 0.80
SCHEMBL8794072 0.79 SIGMAR1 (0.41)
SCHEMBL10736157 0.79 CYP1A2 (0.41) CYP1A2CYP2A6TAAR1KCNH2HRH1

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-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP claimed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed