SCHEMBL7976959

SCHEMBL7976959

CC(CO)Cc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGB5 P18084 1/20 0.36
ITGB6 P18564 1/20 0.36
ACACB O00763 2/20 0.35
FFAR1 O14842 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
SLC2A1 P11166 1/20 0.34
KCNH2 Q12809 2/20 0.34
PPARG P37231 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
SCHEMBL4376133 0.83 HRH3 (0.46) FFAR1HRH3KCNH2
SCHEMBL4386689 0.80 LMNA (0.45) HRH3KCNH2
SCHEMBL4382478 0.79 PPARG (0.39) HRH3KCNH2PPARG
SCHEMBL7988365 0.79 MEN1 (0.48) HRH3KCNH2PPARG
SCHEMBL7991257 0.78 CYP3A4 (0.45)
SCHEMBL4390109 0.77 KCNH2 (0.39) HRH3KCNH2
SCHEMBL4378557 0.77 POLB (0.42) FFAR1HRH3
SCHEMBL4384964 0.77 CYP17A1 (0.36) HRH3SLC2A1KCNH2PPARG
SCHEMBL7987297 0.77 HRH3 (0.54) HRH3KCNH2
SCHEMBL4380966 0.77 NQO1 (0.45) HRH3KCNH2

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