SCHEMBL9258121

SCHEMBL9258121

CC(C)(C)NC(=O)c1ccc(C(O)CCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.42
NMBR P28336 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
MAPT P10636 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
SCHEMBL9263573 0.89 SIRT2 (0.41) SIRT2NMBROPRM1OPRD1MAPT
SCHEMBL9261939 0.82 CYP1A2 (0.41) SIRT2OPRM1OPRD1MAPT
SCHEMBL8979144 0.80 SIRT2 (0.42) SIRT2
SCHEMBL11056190 0.80 CYP11B1 (0.44) OPRM1OPRD1MAPT
SCHEMBL5689049 0.80 SIRT2 (0.42) SIRT2
SCHEMBL4033379 0.77 HDAC1 (0.43) SIRT2
SCHEMBL7084465 0.76 SIRT2 (0.44) SIRT2
SCHEMBL9263704 0.76 LMNA (0.36) SIRT2OPRM1OPRD1MAPT
SCHEMBL18937780 0.73 SIRT2 (0.54) SIRT2NMBR
SCHEMBL1037593 0.72 SIRT2 (0.50) SIRT2NMBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428160-A Condensation of imidazole derivative with cyano- or halo-substituted benzene derivative containing leaving group esterified with carboxylic or sulfonic acid CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
EP-0165904-B1 SUBSTITUTED BICYCLE COMPOUNDS CIBA-GEIGY AG (CH) 1991-04-10 EP disclosed
US-4889861-A Substituted imidazo[1,5-a]pyridine derivatives and other substituted bicyclic derivatives and their use as aromatase inhibitors CIBA-GEIGY CORP. (US) 1989-12-26 US disclosed
US-4728645-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1988-03-01 US disclosed
EP-0165904-A2 Substituted bicycle compounds CIBA-GEIGY AG (CH) 1985-12-27 EP disclosed