SCHEMBL4384634

SCHEMBL4384634

[c]1ccccc1-c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
CYP2D6 P10635 5/20 0.35
CYP2C9 P11712 4/20 0.35
CYP3A4 P08684 3/20 0.35
HRH3 Q9Y5N1 4/20 0.35
CYP1A2 P05177 4/20 0.33
CYP19A1 P11511 3/20 0.33
CYP2C19 P33261 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
HRH1 P35367 1/20 0.32
LSS P48449 1/20 0.31

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
SCHEMBL4383493 0.82 CYP1A2 (0.33) KCNH2CYP2D6CYP2C9CYP3A4CYP1A2
SCHEMBL4378023 0.80 CYP3A4 (0.40) KCNH2CYP2D6CYP2C9CYP3A4HRH3
SCHEMBL8795446 0.79 CYP2D6 (0.34) KCNH2CYP2D6CYP2C9CYP3A4HRH3
SCHEMBL8793384 0.78 CYP3A4 (0.36) KCNH2CYP2D6CYP2C9CYP3A4HRH3
SCHEMBL4384300 0.77 LTA4H (0.51) KCNH2HRH3
SCHEMBL4386386 0.77 KCNH2 (0.37) KCNH2CYP2D6CYP2C9CYP3A4HRH3
SCHEMBL27976761 0.75 LTA4H (0.51) CYP2D6CYP2C9CYP3A4CYP1A2CYP19A1
SCHEMBL4386635 0.75 RAB9A (0.48) CYP1A2CYP2C19KDM4ELMNAMAPT
SCHEMBL7961327 0.74 RAB9A (0.43) KCNH2HRH3MEN1LMNAKMT2A
SCHEMBL7987297 0.74 HRH3 (0.54) KCNH2CYP2C9CYP3A4HRH3CYP1A2

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 9 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-0485636-B1 INDOLE DERIVATIVE TORAY INDUSTRIES (JP) 1997-03-12 EP disclosed
EP-0735026-A1 Method for the production of isoquinoline derivatives and their use as intermediates in the preparation of indole derivatives TORAY INDUSTRIES, INC. (JP) 1996-10-02 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
US-5539119-A MULTISTAGE FORMATION BY OXIDATION, REDUCING A CARBAMATE TO FORM AN ENAMINE, FORMING AN OXIDE TORAY INDUSTRIES, INC. (JP) 1996-07-23 US disclosed
US-5244904-A Immunorepressant, analgesic TORAY INDUSTRIES, INC. (JP) 1993-09-14 US disclosed
EP-0485636-A1 INDOLE DERIVATIVE TORAY INDUSTRIES, INC. (JP) 1992-05-20 EP disclosed