SCHEMBL7843524

SCHEMBL7843524

CC(c1cncn1Cc1ccc(C#N)cc1)N1CCC(CC2CC2)(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.45
CYP11B2 P19099 9/20 0.45
CYP19A1 P11511 1/20 0.43
FNTA P49354 10/20 0.42
FNTB P49356 10/20 0.42
PGGT1B P53609 9/20 0.42
KCNH2 Q12809 2/20 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
SCHEMBL7841107 0.84 FNTA (0.45) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7843372 0.83 FNTA (0.44) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7840542 0.82 FNTA (0.51) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7831056 0.81 FNTA (0.41) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7840206 0.80 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7842405 0.79 FNTA (0.54) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7838079 0.78 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7972330 0.78 FNTA (0.49) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7839060 0.77 FNTA (0.49) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7842194 0.77 FNTA (0.45) CYP11B1CYP11B2CYP19A1FNTAFNTB

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 6 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
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