SCHEMBL7461869

SCHEMBL7461869

Cc1ncc(C(Cc2ccc(C#N)cc2)N2CCN(C(=O)NCc3ccccc3OC(F)(F)F)CC2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
PGGT1B P53609 2/20 0.46
EPHX2 P34913 16/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2J2 P51589 3/20 0.45
PPARG P37231 2/20 0.40
KIT P10721 1/20 0.38

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
SCHEMBL7650231 0.88 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL7473670 0.83 KIT (0.40) KIT
SCHEMBL7465336 0.79 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7466130 0.78 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL7530778 0.78 TRPV1 (0.40)
SCHEMBL7464354 0.78 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL7528341 0.78 FNTA (0.59) FNTAFNTBPGGT1B
SCHEMBL7464816 0.77 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7463179 0.77 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL7468926 0.75 FNTA (0.44) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 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