SCHEMBL7273404

SCHEMBL7273404

COC(=O)CCc1ccc(N2CCN(c3ccc(C#N)cc3)C2=O)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
EP300 Q09472 5/20 0.41
EGLN1 Q9GZT9 1/20 0.38
CACNA1H O95180 1/20 0.37
SMO Q99835 1/20 0.37
PANK3 Q9H999 4/20 0.37
USP14 P54578 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL7274547 0.94 CYP11B1 (0.45) CYP11B1CYP11B2EP300SMOPANK3
SCHEMBL7282605 0.88 CYP11B1 (0.50) CYP11B1CYP11B2EP300USP14ALDH1A1
Hydrochloric Acid SCHEMBL8571479 0.87 CYP11B1 (0.49) CYP11B1CYP11B2EP300USP14ALDH1A1
SCHEMBL7281169 0.84 CYP11B1 (0.48) CYP11B1CYP11B2EP300USP14ALDH1A1
Hydrochloric Acid SCHEMBL7283690 0.82 ITGB3 (0.43)
SCHEMBL7272668 0.82 CYP11B1 (0.46) CYP11B1CYP11B2EP300ALDH1A1CYP3A4
SCHEMBL7274503 0.80 CYP11B1 (0.43) CYP11B1CYP11B2EP300USP14ALDH1A1
SCHEMBL7275719 0.79 CYP11B1 (0.45) CYP11B1CYP11B2EP300USP14ALDH1A1
SCHEMBL7275037 0.79 CYP11B1 (0.42) CYP11B1CYP11B2USP14ALDH1A1
SCHEMBL7273619 0.79 CYP11B1 (0.42) CYP11B1CYP11B2EP300USP14ALDH1A1

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-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed