SCHEMBL7309577

SCHEMBL7309577

CC(=O)NCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)C(C)C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.52
FAP Q12884 1/20 0.47
CMA1 P23946 3/20 0.47
AKT1 P31749 2/20 0.44
ELANE P08246 1/20 0.44
PSMB5 P28074 1/20 0.44
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 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
SCHEMBL7324440 0.93 MALT1 (0.59) MALT1CMA1ELANEDPP4DPP8
SCHEMBL7320410 0.91 MALT1 (0.53) MALT1FAPCMA1ELANEPSMB5
SCHEMBL7314754 0.89 MALT1 (0.53) MALT1CMA1ELANEDPP4DPP8
SCHEMBL7321341 0.89 CMA1 (0.56) MALT1CMA1ELANEITGB3ITGA2B
SCHEMBL7309431 0.89 MALT1 (0.51) MALT1FAPCMA1ELANEPSMB5
SCHEMBL7313441 0.89 MALT1 (0.52) MALT1FAPCMA1AKT1ELANE
SCHEMBL7310323 0.88 MALT1 (0.52) MALT1FAPCMA1ELANEPSMB5
SCHEMBL7312367 0.88 MALT1 (0.52) MALT1CMA1ELANEDPP4DPP8
SCHEMBL7318287 0.88 MALT1 (0.52) MALT1CMA1ELANEDPP4DPP8
SCHEMBL7313056 0.86 MALT1 (0.54) MALT1CMA1ELANEDPP4DPP8

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
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US claimed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP claimed
US-4691007-A HUMAN LEUKOCYTE ELASTASE INHIBITORS ICI AMERICAS INC. (US) 1987-09-01 US disclosed
US-4596789-A Pharmaceuticals ICI AMERICAS INC. (US) 1986-06-24 US disclosed
EP-0124317-A2 Proline derivatives ICI AMERICAS INC. (US) 1984-11-07 EP disclosed