SCHEMBL8912581

SCHEMBL8912581

COC(=O)CCc1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GCGR P47871 1/20 0.37
CHEK1 O14757 2/20 0.37
CYP19A1 P11511 2/20 0.36
KMT2A Q03164 3/20 0.36
FFAR1 O14842 1/20 0.36
EP300 Q09472 1/20 0.36
MCHR1 Q99705 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 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
SCHEMBL8911085 0.90 CYP11B1 (0.37) CYP11B1CYP11B2GCGRKMT2AFFAR1
SCHEMBL8911251 0.90 FFAR1 (0.39) CYP11B1CYP11B2KMT2AFFAR1MCHR1
SCHEMBL8911137 0.88 GCGR (0.36) CYP11B1CYP11B2GCGRCHEK1CYP19A1
SCHEMBL8912130 0.84 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AMCHR1MAPT
SCHEMBL8912511 0.80 CYP11B1 (0.42) CYP11B1CYP11B2KMT2AEP300MEN1
SCHEMBL8911515 0.79 CYP11B1 (0.41) CYP11B1CYP11B2KMT2AMCHR1MAPT
SCHEMBL8912795 0.79 EPHX2 (0.41) CYP11B1CYP11B2KMT2AMCHR1MAPT
SCHEMBL8912807 0.78 CYP11B1 (0.44) CYP11B1CYP11B2KMT2AEP300MEN1
SCHEMBL8911120 0.78 NR1H2 (0.35) CYP11B1CYP11B2GCGRFFAR1MCHR1
SCHEMBL8912183 0.77 KMT2A (0.40) CYP11B1CYP11B2KMT2AMCHR1MAPT

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 3 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
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