SCHEMBL7936730

SCHEMBL7936730

N#Cc1ccc(Cn2cncc2CN(c2cccc(Cl)c2)[C@H]2CCNC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.56
FNTB P49356 16/20 0.56
PGGT1B P53609 9/20 0.56
KCNH2 Q12809 6/20 0.53
CYP3A4 P08684 1/20 0.52
NRAS P01111 1/20 0.51
HRAS P01112 1/20 0.51

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
Hydrochloric Acid SCHEMBL7935977 0.89 FNTA (0.52) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7935975 0.89 FNTA (0.52) FNTAFNTBPGGT1BKCNH2
SCHEMBL7936806 0.78 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7936802 0.78 FNTA (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7937436 0.78 PSEN1 (0.39) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927454 0.78 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7927450 0.78 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7939518 0.78 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7933706 0.77 FNTA (0.41) FNTAFNTBPGGT1BKCNH2
SCHEMBL7937359 0.76 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4

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
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed