SCHEMBL7831367

SCHEMBL7831367

COCC1(Cc2cccc(C)c2)CCN(C(=O)c2cncn2Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.57
FNTB P49356 12/20 0.57
PGGT1B P53609 9/20 0.54
CYP11B1 P15538 5/20 0.52
CYP11B2 P19099 5/20 0.52
CYP2C19 P33261 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.40
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
Trifluoroacetic Acid SCHEMBL7970903 0.95 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7841581 0.91 FNTA (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7847959 0.88 FNTA (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839327 0.87 FNTA (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7842219 0.87 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844877 0.85 FNTA (0.57) FNTAFNTBPGGT1BCYP11B1CYP11B2
Trifluoroacetic Acid SCHEMBL7832064 0.84 FNTA (0.55) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7843356 0.84 FNTA (0.64) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7970593 0.83 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7844528 0.79 FNTA (0.58) 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 7 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-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
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed