SCHEMBL8534261

SCHEMBL8534261

Cc1cccc(C(CN2CCCC(C(=O)NCCc3cncn3Cc3ccc(C#N)cc3)C2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.48
FNTB P49356 16/20 0.48
PGGT1B P53609 15/20 0.48
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KCNH2 Q12809 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPBAR1 Q8TDU6 2/20 0.43

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
SCHEMBL8095893 1.00 FNTA (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL446562 0.94 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8444323 0.93 KCNH2 (0.49) FNTAFNTBPGGT1BKCNH2
SCHEMBL8097462 0.93 KCNH2 (0.49) FNTAFNTBPGGT1BKCNH2
SCHEMBL8426008 0.91 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095566 0.91 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8433745 0.90 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095475 0.90 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088419 0.90 FNTA (0.47) FNTAFNTBPGGT1BKCNH2GPBAR1
SCHEMBL8436084 0.90 FNTA (0.47) FNTAFNTBPGGT1BKCNH2GPBAR1

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