SCHEMBL8535444

SCHEMBL8535444

CN(CCc1cncn1Cc1ccc(C#N)cc1)C(=O)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.57
CYP11B2 P19099 6/20 0.57
FNTA P49354 13/20 0.49
FNTB P49356 13/20 0.49
PGGT1B P53609 13/20 0.49
CYP19A1 P11511 1/20 0.46

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
SCHEMBL8531142 0.80 CYP11B1 (0.59) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8097403 0.79 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8534856 0.79 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8534308 0.79 CYP11B1 (0.58) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8534304 0.78 CYP11B1 (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7083862 0.78 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6776413 0.73 CYP11B1 (0.85) CYP11B1CYP11B2CYP19A1
SCHEMBL1658172 0.73 CYP11B1 (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8191731 0.73 CYP11B1 (0.73) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7830288 0.73 CYP11B1 (0.58) 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