SCHEMBL9087970

SCHEMBL9087970

N#CNN=CN1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 11/20 0.47
▸ TMPRSS11D O60235 12/20 0.45
▸ F10 P00742 4/20 0.44
▸ PLG P00747 3/20 0.44
▸ PRSS1 P07477 4/20 0.42
▸ PRSS2 P07478 4/20 0.42
▸ PRSS3 P35030 4/20 0.42

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
SCHEMBL9088440 0.92 F2 (0.48) F2PRSS1PRSS2PRSS3
SCHEMBL9085068 0.91 F2 (0.50) F2TMPRSS11DF10PLGPRSS1
SCHEMBL7341166 0.89 F2 (0.53) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9087955 0.84 TMPRSS11D (0.50) F2TMPRSS11DF10PLGPRSS1
SCHEMBL7338554 0.83 F2 (0.53) F2TMPRSS11DF10PLGPRSS1
SCHEMBL7586431 0.82 F2 (0.69) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9087480 0.82 TMPRSS11D (0.57) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9086586 0.82 F2 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL7341151 0.81 TMPRSS11D (0.57) F2TMPRSS11DF10PLGPRSS1
SCHEMBL9085792 0.81 F2 (0.49) F2PRSS1PRSS2PRSS3

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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