SCHEMBL8534856

SCHEMBL8534856

CN(CCc1cncn1Cc1ccc(C#N)cc1)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
FNTA P49354 14/20 0.46
FNTB P49356 14/20 0.46
PGGT1B P53609 12/20 0.46
KCNH2 Q12809 1/20 0.46
GPR119 Q8TDV5 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8097403 1.00 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8088813 0.85 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8531991 0.85 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097399 0.83 GPR119 (0.43) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8431156 0.80 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8098304 0.80 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8535444 0.79 CYP11B1 (0.57) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8101310 0.79 KCNH2 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8425934 0.79 KCNH2 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8088808 0.78 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed