SCHEMBL7650231

SCHEMBL7650231

Cc1ncc(C(Cc2ccc(C#N)cc2)N2CCN(C(=O)OCc3ccccc3OC(F)(F)F)CC2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.60
FNTB P49356 18/20 0.60
PGGT1B P53609 18/20 0.60
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37

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
SCHEMBL7464354 0.90 FNTA (0.48) FNTAFNTBPGGT1BCYP2D6SLC6A2
SCHEMBL7528341 0.90 FNTA (0.59) FNTAFNTBPGGT1BSLC6A2SLC6A4
SCHEMBL7466130 0.90 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL7465336 0.90 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7463179 0.88 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL7464816 0.88 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL7461869 0.88 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL7468926 0.86 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL7468251 0.82 FNTA (0.40) FNTAFNTBPGGT1B
SCHEMBL7469797 0.79 FNTA (0.49) 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 1 patent. 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 disclosed