SCHEMBL7842379

SCHEMBL7842379

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.53
CYP11B2 P19099 4/20 0.53
FNTA P49354 14/20 0.52
FNTB P49356 14/20 0.52
PGGT1B P53609 10/20 0.52
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL7832058 0.90 FNTA (0.53) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7973044 0.87 FNTA (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7848289 0.87 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7831594 0.87 FNTA (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7839327 0.86 FNTA (0.55) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7853068 0.86 FNTA (0.65) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7855834 0.86 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7972330 0.84 FNTA (0.49) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7972332 0.84 FNTA (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7832061 0.79 CYP11B1 (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP claimed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP claimed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO claimed
EP-0946545-B1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES AVENTIS PHARMA INC (US) 2001-09-05 EP disclosed
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed