SCHEMBL7469797

SCHEMBL7469797

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)OCc3ccccc3OCC(F)(F)F)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.49
FNTB P49356 17/20 0.49
PGGT1B P53609 17/20 0.49
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL7554682 0.96 FNTA (0.46) FNTAFNTBPGGT1BSLC6A2SLC6A4
SCHEMBL7192580 0.89 FNTA (0.58) FNTAFNTBPGGT1B
SCHEMBL7183666 0.85 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL3500628 0.84 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL3519809 0.82 FNTA (0.59) FNTAFNTBPGGT1BKCNH2
SCHEMBL3501100 0.82 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7593385 0.81 FNTA (0.38) FNTAFNTBPGGT1BGPR119
SCHEMBL7192093 0.79 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL7194838 0.79 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL7650231 0.79 FNTA (0.60) FNTAFNTBPGGT1BSLC6A2SLC6A4

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