SCHEMBL4384690

SCHEMBL4384690

ON=CCc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
HTR2A P28223 3/20 0.33
MCHR1 Q99705 3/20 0.33
FFAR1 O14842 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL4382446 0.85 HRH3 (0.35) KCNH2CYP2D6
SCHEMBL4376189 0.84 KCNH2 (0.37) KCNH2FFAR1CYP3A4CYP2D6CYP2C9
SCHEMBL4385152 0.82 LTA4H (0.32) FFAR1
SCHEMBL4379716 0.82 MEN1 (0.37) FFAR1MEN1KMT2A
SCHEMBL4379690 0.82 KMT2A (0.52) KCNH2MEN1KMT2A
SCHEMBL4392001 0.81 KCNH2 (0.33) KCNH2MEN1KMT2A
SCHEMBL4376133 0.81 HRH3 (0.46) KCNH2HTR2AMCHR1FFAR1CYP3A4
SCHEMBL4394354 0.79 HRH3 (0.38) KCNH2CYP2D6
SCHEMBL4394357 0.79 HRH3 (0.38) KCNH2CYP2D6
SCHEMBL4390109 0.78 KCNH2 (0.39) KCNH2CYP3A4CYP2D6CYP2C9KMT2A

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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US 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