SCHEMBL7464816

SCHEMBL7464816

Cc1ncc(C(Cc2ccc(C#N)cc2)N2CCN(C(=O)OCc3ccccc3S(=O)(=O)C(F)(F)F)CC2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.47
FNTB P49356 18/20 0.47
PGGT1B P53609 18/20 0.47
P2RX7 Q99572 1/20 0.37
TACR1 P25103 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
SCHEMBL7465336 0.89 FNTA (0.47) FNTAFNTBPGGT1BTACR1
SCHEMBL7650231 0.88 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7463179 0.87 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL7466130 0.87 FNTA (0.49) FNTAFNTBPGGT1BP2RX7TACR1
SCHEMBL7468926 0.85 FNTA (0.44) FNTAFNTBPGGT1BTACR1
SCHEMBL7464354 0.85 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL7528341 0.85 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL7468251 0.80 FNTA (0.40) FNTAFNTBPGGT1B
SCHEMBL7461869 0.77 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL7464811 0.76 FNTA (0.77) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540072-A 2002-11-26 JP claimed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP claimed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US claimed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO claimed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed