SCHEMBL9088429

SCHEMBL9088429

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(C(=N)NC#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.49
▸ TMPRSS11D O60235 12/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ F10 P00742 3/20 0.40
▸ PLG P00747 3/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ XIAP P98170 1/20 0.39
▸ ACE P12821 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 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
SCHEMBL9087955 0.92 TMPRSS11D (0.50) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9086574 0.91 F2 (0.51) F2TMPRSS11DCMA1F10PLG
SCHEMBL9085779 0.88 F2 (0.51) F2TMPRSS11DCMA1F10PLG
SCHEMBL7346744 0.88 F2 (0.54) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9073567 0.86 F2 (0.51) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9012124 0.84 ACE (0.48) F2TMPRSS11DCMA1F10PLG
SCHEMBL9088440 0.84 F2 (0.48) F2CMA1TACR1ACEPRSS1
SCHEMBL9012355 0.84 F2 (0.51) F2TMPRSS11DCMA1F10PLG
SCHEMBL9012346 0.84 F2 (0.51) F2TMPRSS11DCMA1F10PLG
SCHEMBL9012134 0.83 F2 (0.51) F2TMPRSS11DCMA1F10PLG

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-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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