SCHEMBL9088440

SCHEMBL9088440

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.48
▸ CMA1 P23946 1/20 0.40
▸ PRSS1 P07477 5/20 0.39
▸ PRSS2 P07478 3/20 0.39
▸ PRSS3 P35030 3/20 0.39
▸ ACE P12821 7/20 0.38
▸ ACE2 Q9BYF1 4/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37

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
SCHEMBL9087970 0.92 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL9086586 0.91 F2 (0.51) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9085792 0.89 F2 (0.49) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL7346760 0.89 F2 (0.54) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9073832 0.89 F2 (0.54) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012533 0.85 F2 (0.49) F2CMA1PRSS1ACE
SCHEMBL9088429 0.84 F2 (0.49) F2CMA1PRSS1PRSS2PRSS3
SCHEMBL9012310 0.82 F2 (0.55) F2CMA1PRSS1ACEACE2
SCHEMBL7589201 0.82 F2 (0.70) F2PRSS1
SCHEMBL9085068 0.82 F2 (0.50) F2PRSS1PRSS2PRSS3ACE

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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