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SCHEMBL9012264

SCHEMBL9012264

CC(CC(C)(C)C(=O)/N=C(/N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1)OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 7/20 0.43
▸ F2 P00734 4/20 0.43
▸ TMPRSS11D O60235 8/20 0.41
▸ PRSS1 P07477 1/20 0.39
▸ XIAP P98170 2/20 0.39
▸ CTRC Q99895 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ PLG P00747 1/20 0.38

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
SCHEMBL9012269 1.00 CMA1 (0.43) CMA1F2TMPRSS11DPRSS1XIAP
SCHEMBL9012142 0.94 F2 (0.44) CMA1F2TMPRSS11DPRSS1XIAP
SCHEMBL9012149 0.94 F2 (0.44) CMA1F2TMPRSS11DPRSS1XIAP
SCHEMBL9012567 0.93 F2 (0.43) CMA1F2TMPRSS11DPRSS1XIAP
SCHEMBL9012564 0.93 F2 (0.43) CMA1F2TMPRSS11DPRSS1XIAP
SCHEMBL9011976 0.93 F2 (0.41) CMA1F2TMPRSS11DPRSS1XIAP
SCHEMBL9011966 0.93 F2 (0.41) CMA1F2TMPRSS11DPRSS1XIAP
SCHEMBL9012392 0.92 F2 (0.43) CMA1F2TMPRSS11DPRSS1XIAP
SCHEMBL9012186 0.91 F2 (0.42) CMA1F2TMPRSS11DPRSS1XIAP
SCHEMBL9012171 0.91 F2 (0.42) CMA1F2TMPRSS11DPRSS1XIAP

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
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 — — EP claimed
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 — — EP disclosed