SCHEMBL8097476

SCHEMBL8097476

N[C@@H](CS)CNc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 1.00
FNTB P49356 10/20 1.00
PGGT1B P53609 6/20 0.76
ANPEP P15144 2/20 0.54
ENPEP Q07075 1/20 0.54

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
SCHEMBL8868938 0.87 FNTA (0.77) FNTAFNTBPGGT1BANPEPENPEP
SCHEMBL8586902 0.86 FNTA (1.00) FNTAFNTBPGGT1BANPEPENPEP
SCHEMBL8097474 0.86 FNTA (1.00) FNTAFNTBPGGT1BANPEPENPEP
SCHEMBL8112651 0.82 FNTA (1.00) FNTAFNTBPGGT1BANPEP
Trifluoroacetic Acid SCHEMBL8869696 0.81 FNTA (0.67) FNTAFNTBPGGT1BANPEPENPEP
SCHEMBL8110964 0.79 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8934722 0.76 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL8870488 0.75 FNTA (0.60) FNTAFNTBPGGT1B
SCHEMBL8106918 0.75 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8868864 0.75 FNTA (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6011175-A Inhibition of farnesyltransferase UNIVERSITY OF PITTSBURGH (US) 2000-01-04 US disclosed
US-5965539-A PEPTIDOMIMETICS; ANTI-CANCER DRUGS UNIVERISTY OF PITTSBURGH (US) 1999-10-12 US disclosed