SCHEMBL7714014

SCHEMBL7714014

C[C@@](O)(c1ccc(C#N)c(F)c1)c1cncn1CC(=O)NC1CCN(c2cccc3ccc(O)cc23)C1=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.41
FNTB P49356 13/20 0.41
PGGT1B P53609 11/20 0.41
KCNH2 Q12809 10/20 0.41
CYP3A4 P08684 3/20 0.40
FPR2 P25090 5/20 0.34
FPR1 P21462 4/20 0.34
DNAJA1 P31689 1/20 0.33

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
SCHEMBL7714018 1.00 FNTA (0.41) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7714011 1.00 FNTA (0.41) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7717591 0.92 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7717584 0.92 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7717582 0.92 FNTA (0.40) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7714038 0.90 FNTA (0.38) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7714035 0.90 FNTA (0.38) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7714043 0.90 FNTA (0.38) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7717551 0.81 FNTA (0.46) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7717552 0.81 FNTA (0.46) 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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed