SCHEMBL4383636

SCHEMBL4383636

CCOC(=O)CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.45
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL9259069 0.97 CYP4F2 (0.46) SIRT2SMN1; SMN2CYP4F2CYP4A11POLB
SCHEMBL2034215 0.93 SIRT2 (0.46) SIRT2SMN1; SMN2CYP4F2CYP4A11POLB
SCHEMBL13262679 0.88 SIRT2 (0.48) SIRT2
SCHEMBL6777569 0.85 SIRT2 (0.48) SIRT2
SCHEMBL9263718 0.84 SIRT2 (0.45) SIRT2SMN1; SMN2
SCHEMBL29556807 0.83 SIRT2 (0.44) SIRT2SMN1; SMN2
SCHEMBL1037593 0.81 SIRT2 (0.50) SIRT2
SCHEMBL7705897 0.80 SIRT2 (0.44) SIRT2
SCHEMBL4789448 0.80 NR1I2 (0.41) SIRT2SMN1; SMN2CYP4F2CYP4A11POLB
SCHEMBL2796109 0.80 SIRT2 (0.52) SIRT2

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
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
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