SCHEMBL9012004

SCHEMBL9012004

COCCC(=O)N=C(N)N1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(C)(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.48
TMPRSS11D O60235 10/20 0.42
PRSS1 P07477 4/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
F10 P00742 3/20 0.41
PLG P00747 3/20 0.41
ACE P12821 2/20 0.40
CMA1 P23946 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL9011991 1.00 F2 (0.48) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012478 0.93 F2 (0.48) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012484 0.93 F2 (0.48) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012130 0.93 F2 (0.49) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012136 0.93 F2 (0.49) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012346 0.91 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012355 0.91 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012530 0.91 F2 (0.48) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012541 0.91 F2 (0.48) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012296 0.90 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3

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