SCHEMBL4378023

SCHEMBL4378023

[c]1ccc(-c2ccc(OCCCc3c[nH]cn3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP19A1 P11511 2/20 0.40
CYP2C19 P33261 2/20 0.40
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 7/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4386386 0.91 KCNH2 (0.37) CYP3A4CYP2D6CYP2C9KCNH2HRH3
SCHEMBL8793384 0.85 CYP3A4 (0.36) CYP3A4CYP2D6CYP1A2CYP2C9CYP19A1
SCHEMBL8794640 0.83 RAB9A (0.32) HRH3
SCHEMBL4384634 0.80 KCNH2 (0.36) CYP3A4CYP2D6CYP1A2CYP2C9CYP19A1
SCHEMBL650642 0.79 HRH3 (0.46) HRH3HRH2HRH1MAPT
SCHEMBL4380966 0.79 NQO1 (0.45) CYP3A4CYP2D6CYP1A2CYP2C9CYP19A1
SCHEMBL7961327 0.79 RAB9A (0.43) KCNH2HRH3MEN1LMNAKMT2A
SCHEMBL7987297 0.79 HRH3 (0.54) CYP3A4CYP1A2CYP2C9CYP2C19KCNH2
SCHEMBL8795446 0.79 CYP2D6 (0.34) CYP3A4CYP2D6CYP1A2CYP2C9CYP19A1
SCHEMBL4383493 0.77 CYP1A2 (0.33) CYP3A4CYP2D6CYP1A2CYP2C9CYP19A1

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 5 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
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 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