SCHEMBL4390063

SCHEMBL4390063

CC(CCCCc1ccc(OCCCc2c[nH]cn2)cc1)=NO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4384959 0.96 FFAR1 (0.39) FFAR1ALDH1A1CYP3A4PPARGPPARA
SCHEMBL4378233 0.93 FFAR1 (0.39) FFAR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4394354 0.87 HRH3 (0.38) SMN1; SMN2CYP2D6
SCHEMBL4394357 0.87 HRH3 (0.38) SMN1; SMN2CYP2D6
SCHEMBL4383862 0.86 ALDH1A1 (0.46) FFAR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4383472 0.82 ALDH1A1 (0.46) FFAR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL4387279 0.81 ITGB3 (0.35) FFAR1ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL4378585 0.81 ALDH1A1 (0.53) FFAR1ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL8934837 0.80 ALDH1A1 (0.45) FFAR1ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL7991257 0.80 CYP3A4 (0.45) ALDH1A1MEN1CYP3A4KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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