SCHEMBL7976920

SCHEMBL7976920

CCCc1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KCNH2 Q12809 2/20 0.40
DHFR P00374 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4392060 0.91 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8934840 0.88 LTB4R (0.40) CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL8795871 0.85 GGPS1 (0.37) KCNH2
SCHEMBL8794353 0.81 MAOB (0.47) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7994413 0.80 HCAR2 (0.41)
SCHEMBL4383478 0.80 CHRNB2 (0.47) CNR1CNR2
SCHEMBL7989019 0.79 LMNA (0.54) PPARG
SCHEMBL4379680 0.79 KDM4E (0.49) PPARGPPARAKDM4EALDH1A1SMN1; SMN2
SCHEMBL14382693 0.78 CYP2D6 (0.57) CYP2D6PPARGPPARACNR1CNR2
SCHEMBL224560 0.78 TAAR1 (0.51) DHFR

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