SCHEMBL8097380

SCHEMBL8097380

C[C@H](NC(=O)C1CCCN(CCCc2ccccc2)C1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.48
FNTB P49356 12/20 0.48
PGGT1B P53609 11/20 0.48
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
KCNH2 Q12809 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 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
SCHEMBL8099953 0.88 FNTA (0.43) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL446560 0.88 FNTA (0.45) FNTAFNTBPGGT1BKMT2AKCNH2
SCHEMBL8095903 0.87 CYP11B1 (0.45) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097931 0.87 KMT2A (0.51) FNTAFNTBPGGT1BKMT2AKCNH2
SCHEMBL8088439 0.87 FNTA (0.52) FNTAFNTBPGGT1BKDM4EKCNH2
SCHEMBL8102496 0.86 FNTA (0.45) FNTAFNTBPGGT1BKMT2AKCNH2
SCHEMBL8101584 0.86 FNTA (0.43) FNTAFNTBPGGT1BKCNH2CYP11B1
SCHEMBL8097850 0.86 FNTA (0.52) FNTAFNTBPGGT1BKDM4EKMT2A
SCHEMBL8088935 0.86 FNTA (0.52) FNTAFNTBPGGT1BKDM4EKMT2A
SCHEMBL8097930 0.85 FNTA (0.46) FNTAFNTBPGGT1BKCNH2CYP11B1

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