SCHEMBL5163361

SCHEMBL5163361

Cc1c(-c2ccc(C[C@H](NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C(=O)O)cc2)c(=O)n(C)c(=O)n1C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 11/20 0.55
ITGB7 P26010 11/20 0.55
ITGB1 P05556 10/20 0.55
CMA1 P23946 5/20 0.47
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5162831 0.93 ITGB1 (0.50) ITGA4ITGB7ITGB1CMA1KMT2A
SCHEMBL3825215 0.82 CMA1 (0.63) CMA1KMT2AMAPK1
SCHEMBL3165695 0.82 CMA1 (0.63) CMA1KMT2AMAPK1
SCHEMBL21748404 0.82 CMA1 (0.63) CMA1KMT2AMAPK1
SCHEMBL3165688 0.82 CMA1 (0.63) CMA1KMT2AMAPK1
SCHEMBL5689963 0.82 CMA1 (0.54) CMA1KMT2AMAPK1LMNANPSR1
SCHEMBL5164143 0.82 ITGA4 (0.64) ITGA4ITGB7ITGB1
SCHEMBL5689518 0.80 CMA1 (0.53) CMA1KMT2AMAPK1LMNANPSR1
SCHEMBL3824430 0.80 CMA1 (0.52) CMA1KMT2AMAPK1
SCHEMBL30152222 0.79 CMA1 (0.59) CMA1KMT2AMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO disclosed