SCHEMBL6963184

SCHEMBL6963184

Cc1cscc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SIRT2 Q8IXJ6 14/20 0.32
ENPP2 Q13822 1/20 0.31

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
SCHEMBL6971378 0.85 SIRT2 (0.35) CYP11B1CYP11B2SIRT2
SCHEMBL12510466 0.81 SIRT2 (0.35) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL7813551 0.81 CYP11B1 (0.33) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL6965789 0.81 CYP11B1 (0.33) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL6972517 0.80 SIRT2 (0.34) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL7809232 0.78 CYP11B1 (0.33) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL2202154 0.77 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL17651947 0.77 SIRT2 (0.36) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL21636129 0.77 SIRT2 (0.35) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL1039275 0.76 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2

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-0954521-B1 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO MCNEIL PHARM INC (US) 2003-05-14 EP disclosed
EP-0954521-A1 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY Ortho-McNeil Pharmaceutical, Inc. (US) 1999-11-10 EP disclosed
US-5750720-A ALPHA-ADRENORECEPTORS AND CENTRAL NERVOUS SYSTEMS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-05-12 US disclosed
WO-1997035858-A1 4-[(THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING α2-ADRENOCEPTOR AGONISTIC ACTIVITY ORTHO PHARMACEUTICAL CORPORATION (US) 1997-10-02 WO disclosed