SCHEMBL7749658

SCHEMBL7749658

COC(=O)[C@H](CCSC)NC(=O)C(C[C@@H]1CCCN1)N(Cc1cccc2ccccc12)C(=O)Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.51
FNTB P49356 18/20 0.51
PGGT1B P53609 5/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL7515310 0.75 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7658441 0.72 FNTA (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7655477 0.72 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL9058006 0.72 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8763074 0.71 FNTA (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL6978130 0.71 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8763874 0.70 FNTA (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7515305 0.70 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7515303 0.70 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7751678 0.69 FNTA (0.47) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP claimed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO claimed