SCHEMBL9086574

SCHEMBL9086574

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCN(C(=N)NO)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.51
▸ ACE P12821 2/20 0.44
▸ TMPRSS11D O60235 11/20 0.43
▸ CMA1 P23946 1/20 0.43
▸ LTA4H P09960 3/20 0.42
▸ F10 P00742 3/20 0.42
▸ PLG P00747 3/20 0.42
▸ 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
SCHEMBL9085779 0.91 F2 (0.51) F2TMPRSS11DCMA1F10PLG
SCHEMBL9085053 0.91 TMPRSS11D (0.52) F2ACETMPRSS11DLTA4HF10
SCHEMBL7346744 0.91 F2 (0.54) F2TMPRSS11DF10PLG
SCHEMBL9088429 0.91 F2 (0.49) F2ACETMPRSS11DCMA1F10
SCHEMBL9073567 0.89 F2 (0.51) F2TMPRSS11DF10PLG
SCHEMBL9012124 0.87 ACE (0.48) F2ACETMPRSS11DCMA1F10
SCHEMBL9012355 0.86 F2 (0.51) F2TMPRSS11DCMA1F10PLG
SCHEMBL9012346 0.86 F2 (0.51) F2TMPRSS11DCMA1F10PLG
SCHEMBL9012105 0.86 F2 (0.49) F2TMPRSS11DCMA1F10PLG
SCHEMBL9012114 0.86 F2 (0.49) 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 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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