SCHEMBL7155126

SCHEMBL7155126

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC=NN

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.46
F2 P00734 5/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS11D O60235 2/20 0.44
CMA1 P23946 1/20 0.43
PRCP P42785 1/20 0.43

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
SCHEMBL7154250 0.92 TMPRSS11D (0.47) FKBP1AF2PRSS1PRSS2PRSS3
SCHEMBL7155123 0.88 TMPRSS11D (0.47) FKBP1AF2TMPRSS11D
SCHEMBL7350482 0.86 F2 (0.57) F2
SCHEMBL6971414 0.86 F2 (0.57) F2
SCHEMBL7346760 0.82 F2 (0.54) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL9073832 0.82 F2 (0.54) F2PRSS1PRSS2PRSS3TMPRSS11D
SCHEMBL8820442 0.82 F2 (0.46) FKBP1AF2PRSS1PRSS2PRSS3
SCHEMBL7362539 0.82 TACR2 (0.46) FKBP1AF2PRSS1PRSS2PRSS3
SCHEMBL7339322 0.82 F2 (0.51) F2PRSS1PRSS2PRSS3TMPRSS11D
Hydrochloric Acid SCHEMBL7106983 0.81 TACR2 (0.46) FKBP1AF2PRSS1PRSS2PRSS3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534536-B1 Alkylsulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-03-18 US claimed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP claimed
US-6534536-B1 Alkylsulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-03-18 US disclosed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP disclosed