SCHEMBL8103764

SCHEMBL8103764

N#Cc1ccc(Cn2cncc2CCS(=O)(=O)CC2CCCN(CC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.49
FNTB P49356 20/20 0.49
PGGT1B P53609 18/20 0.49
KCNH2 Q12809 2/20 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
SCHEMBL8103765 1.00 FNTA (0.49) FNTAFNTBPGGT1BKCNH2
SCHEMBL8088215 0.84 FNTA (0.48) FNTAFNTBPGGT1BKCNH2
SCHEMBL8097470 0.84 FNTA (0.54) FNTAFNTBPGGT1BKCNH2
SCHEMBL8088216 0.84 FNTA (0.48) FNTAFNTBPGGT1BKCNH2
SCHEMBL8431360 0.84 FNTA (0.54) FNTAFNTBPGGT1BKCNH2
SCHEMBL8440507 0.83 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL8088745 0.83 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL8097736 0.81 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL8441440 0.81 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL8101560 0.81 CCR2 (0.45) FNTAFNTBPGGT1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed