SCHEMBL5574244

SCHEMBL5574244

COc1cc(OC(C)c2ccc[nH]2)ccc1-c1cccc(N)n1.COc1cc(OCC(=O)N2C(C)(C)CCCC2(C)C)ccc1-c1cccc(N)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.33
NOS3 P29474 4/20 0.33
CBX7 O95931 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
ACACA Q13085 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
POLB P06746 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL6583088 0.88 NOS1 (0.40) NOS1NOS3CBX7HRH3CPT2
SCHEMBL218548 0.85 PDCD1LG2 (0.36) NOS1NOS3CBX7HRH3CPT2
SCHEMBL6111964 0.82 ADORA3 (0.36) NOS1NOS3ADORA3
SCHEMBL218547 0.79 NOS3 (0.52) NOS1NOS3
SCHEMBL6584378 0.72 NOS1 (0.44) NOS1NOS3
SCHEMBL6585074 0.71 ACACA (0.50) NOS1NOS3ACACAPOLBALPL
SCHEMBL422891 0.70 NOS1 (0.41) NOS1NOS3
SCHEMBL4696251 0.70 ADORA3 (0.36) ADORA3
SCHEMBL6583013 0.70 CBX7 (0.41) NOS1NOS3CBX7
SCHEMBL6582579 0.69 PDCD1LG2 (0.41) NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853610-A1 N-PHENYL BENZAMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
WO-2006094236-A1 N-PHENYL BENZAMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed