SCHEMBL8530784

SCHEMBL8530784

N#Cc1ccc(Cn2cncc2CCNC(=O)C2CCCN(Cc3cccc(Br)c3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.51
FNTB P49356 16/20 0.51
PGGT1B P53609 13/20 0.51
KCNH2 Q12809 6/20 0.49
CYP3A4 P08684 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL8088212 1.00 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8088941 0.92 KCNH2 (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8097856 0.92 KCNH2 (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8095394 0.92 FNTA (0.60) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8442897 0.89 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8098295 0.89 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8095370 0.89 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8095356 0.89 CYP11B1 (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8428073 0.89 CYP11B1 (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8443240 0.89 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4

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