SCHEMBL8105313

SCHEMBL8105313

N[C@@H](CS)C(=O)Nc1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 1.00
FNTB P49356 6/20 1.00
PGGT1B P53609 5/20 1.00
ANPEP P15144 1/20 0.49
ENPEP Q07075 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL8106703 0.82 FNTA (0.70) FNTAFNTBPGGT1BTAAR1
SCHEMBL8869829 0.81 FNTA (0.69) FNTAFNTBPGGT1B
SCHEMBL8097474 0.80 FNTA (1.00) FNTAFNTBPGGT1BANPEPENPEP
SCHEMBL8586902 0.80 FNTA (1.00) FNTAFNTBPGGT1BANPEPENPEP
SCHEMBL8111003 0.79 FNTA (1.00) FNTAFNTBPGGT1BANPEPENPEP
SCHEMBL8869774 0.78 FNTA (0.63) FNTAFNTBPGGT1B
SCHEMBL8365755 0.76 FNTA (0.61) FNTAFNTBPGGT1BTAAR1
Trifluoroacetic Acid SCHEMBL8869217 0.76 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL8870485 0.75 FNTA (0.60) FNTAFNTBPGGT1BANPEP
SCHEMBL14683877 0.73 KMO (0.87)

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 6 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
EP-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP disclosed
US-5705686-A 3-MERCAPTO-2-AMINO-PROPYLAMINOBIPHENYL DERIVATIVES; PEPTIDOMIMETICS; ANTICARCINOGENIC AGENTS UNIVERSITY OF PITTSBURGH (US) 1998-01-06 US disclosed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP disclosed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 WO disclosed