SCHEMBL8147489

SCHEMBL8147489

CCCC[C@H]1CN(c2ccccc2)C(=O)CN1C(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.48
FNTB P49356 14/20 0.48
PGGT1B P53609 5/20 0.43
CYP19A1 P11511 2/20 0.41
NR1H4 Q96RI1 1/20 0.36
GRM2 Q14416 1/20 0.35

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
SCHEMBL5131468 0.90 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4
SCHEMBL445939 0.90 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4
Hydrochloric Acid SCHEMBL8160943 0.89 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4
Hydrochloric Acid SCHEMBL8541088 0.89 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4
SCHEMBL3687066 0.87 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1GRM2
SCHEMBL445626 0.87 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1GRM2
Trifluoroacetic Acid SCHEMBL8147178 0.84 FNTA (0.54) FNTAFNTBPGGT1BCYP19A1
Hydrochloric Acid SCHEMBL8485271 0.83 FNTA (0.37) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3685047 0.83 FNTA (0.49) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3499936 0.83 FNTA (0.49) FNTAFNTBPGGT1BCYP19A1

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-6060038-A Radiolabeled farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-05-09 US disclosed