SCHEMBL8088396

SCHEMBL8088396

C[C@H](NC(=O)C1CCCN(C(=O)N(c2ccccc2)c2ccccc2)C1)c1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.45
FNTB P49356 15/20 0.45
PGGT1B P53609 10/20 0.45
GAA P10253 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
KCNH2 Q12809 1/20 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
SCHEMBL8103720 0.88 FNTA (0.46) FNTAFNTBPGGT1BGAACYP11B1
SCHEMBL8104343 0.88 FAAH (0.48) FNTAFNTBPGGT1BGAACYP11B1
SCHEMBL8095915 0.88 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8097930 0.86 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088808 0.85 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8098226 0.84 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8097915 0.84 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8425904 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8088399 0.84 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8101510 0.84 ALOX12 (0.49) FNTAFNTBPGGT1BALDH1A1

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