SCHEMBL9710885

SCHEMBL9710885

CC(C)C[C@](N)(C(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.43
▸ P2RX7 Q99572 1/20 0.42
▸ TACR1 P25103 2/20 0.41
▸ F10 P00742 2/20 0.40
▸ CMA1 P23946 9/20 0.39
▸ XIAP P98170 1/20 0.38
▸ F2 P00734 2/20 0.37
▸ PRSS1 P07477 1/20 0.37

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
SCHEMBL9710401 0.90 ACE (0.41) ACEF10CMA1XIAPF2
SCHEMBL9710492 0.90 F10 (0.48) ACEF10F2PRSS1
Iodide SCHEMBL9710506 0.89 F10 (0.48) ACEF10F2PRSS1
SCHEMBL9710466 0.80 CTSG (0.42) P2RX7CMA1F2
SCHEMBL7023692 0.75 F10 (0.56) F10F2
SCHEMBL17081787 0.74 ACE (0.56) ACECMA1F2PRSS1
SCHEMBL10053455 0.74 ACE (0.56) ACECMA1F2PRSS1
SCHEMBL10021917 0.74 ACE (0.56) ACECMA1F2PRSS1
SCHEMBL9710711 0.72 KMT2A (0.40) TACR1F10F2PRSS1
SCHEMBL9710484 0.71 F2 (0.54) F10F2

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
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 — — WO disclosed
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