SCHEMBL9085779

SCHEMBL9085779

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 8/20 0.51
▸ TMPRSS11D O60235 12/20 0.44
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ F10 P00742 3/20 0.42
▸ PLG P00747 3/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ XIAP P98170 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
SCHEMBL9086574 0.91 F2 (0.51) F2TMPRSS11DF10PLGCMA1
SCHEMBL7346744 0.90 F2 (0.54) F2TMPRSS11DPRSS1F10PLG
SCHEMBL9088429 0.88 F2 (0.49) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9073567 0.88 F2 (0.51) F2TMPRSS11DPRSS1F10PLG
SCHEMBL9012296 0.87 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012292 0.87 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012130 0.86 F2 (0.49) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012136 0.86 F2 (0.49) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012346 0.86 F2 (0.51) F2TMPRSS11DPRSS1PRSS2PRSS3
SCHEMBL9012355 0.86 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5561146-A Modified guanidino and amidino thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-01 — — US claimed
EP-0686642-A2 Modified guanidino and amidino thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-13 — — EP claimed
US-5561146-A Modified guanidino and amidino thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-01 — — US disclosed
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