SCHEMBL8095385

SCHEMBL8095385

C[C@H](C(=O)NC1CCCN(CC(c2ccccc2)c2ccccc2)C1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.46
FNTB P49356 14/20 0.46
PGGT1B P53609 11/20 0.46
CCR2 P41597 1/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
KCNH2 Q12809 1/20 0.43
CCR5 P51681 2/20 0.41

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
SCHEMBL8097834 0.86 FNTA (0.47) FNTAFNTBPGGT1BCCR2CYP11B1
SCHEMBL8097836 0.86 FNTA (0.47) FNTAFNTBPGGT1BCCR2CYP11B1
SCHEMBL8090861 0.86 FNTA (0.53) FNTAFNTBPGGT1BKCNH2
SCHEMBL8090860 0.86 FNTA (0.53) FNTAFNTBPGGT1BKCNH2
SCHEMBL8440169 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095390 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL446560 0.83 FNTA (0.45) FNTAFNTBPGGT1BCCR2CYP11B1
SCHEMBL8098299 0.81 CCR5 (0.44) FNTAFNTBPGGT1BCCR2CYP11B1
SCHEMBL8097467 0.80 CCR2 (0.45) FNTAFNTBPGGT1BCCR2CYP11B1
SCHEMBL8095468 0.80 FNTA (0.43) FNTAFNTBPGGT1BCCR2CYP11B1

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-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed