SCHEMBL7972330

SCHEMBL7972330

COC(=O)C1(Cc2ccccc2C)CCN(C(C)c2cncn2Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.49
FNTB P49356 13/20 0.49
PGGT1B P53609 9/20 0.49
CYP11B1 P15538 6/20 0.45
CYP11B2 P19099 6/20 0.45
CYP19A1 P11511 1/20 0.40

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
SCHEMBL7839060 0.87 FNTA (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7853068 0.85 FNTA (0.65) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7832497 0.84 CYP11B1 (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842379 0.84 CYP11B1 (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7842729 0.83 FNTA (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7973044 0.83 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7972332 0.83 FNTA (0.56) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7848289 0.83 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7840206 0.81 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7841107 0.80 FNTA (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2

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-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed