SCHEMBL8149727

SCHEMBL8149727

N#Cc1ccc(CCC[C@@H](c2cnc[nH]2)N2CC(=O)N(c3ccccc3)CC2Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.52
FNTA P49354 13/20 0.39
FNTB P49356 13/20 0.39
PGGT1B P53609 3/20 0.38
HRAS P01112 1/20 0.35
KRAS P01116 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
Hydrochloric Acid SCHEMBL3842211 0.99 CYP19A1 (0.51) CYP19A1FNTAFNTBPGGT1BHRAS
SCHEMBL8147489 0.82 FNTA (0.48) CYP19A1FNTAFNTBPGGT1B
SCHEMBL7825652 0.78 CYP19A1 (0.43) CYP19A1FNTAFNTBPGGT1BHRAS
Hydrochloric Acid SCHEMBL7841905 0.78 CYP19A1 (0.43) CYP19A1FNTAFNTBPGGT1BHRAS
Hydrochloric Acid SCHEMBL7656506 0.75 FNTA (0.45) CYP19A1FNTAFNTBPGGT1BHRAS
SCHEMBL7826548 0.75 FNTA (0.44) CYP19A1FNTAFNTBPGGT1BHRAS
SCHEMBL3685047 0.75 FNTA (0.49) CYP19A1FNTAFNTBPGGT1BHRAS
SCHEMBL3499936 0.75 FNTA (0.49) CYP19A1FNTAFNTBPGGT1BHRAS
Hydrochloric Acid SCHEMBL8544538 0.74 FNTA (0.48) CYP19A1FNTAFNTBPGGT1BHRAS
Hydrochloric Acid SCHEMBL7834168 0.74 FNTA (0.44) CYP19A1FNTAFNTBPGGT1BHRAS

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
EP-1014984-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-05 EP disclosed
WO-1999009985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-03-04 WO disclosed