Sugi Predict

Sugi Predict / Compounds / SCHEMBL9076763

SCHEMBL9076763

SCHEMBL9076763

C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@@H]1CNC(=O)C1CCN(C(=N)N)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 12/20 0.59
▸ PRSS1 P07477 5/20 0.47
▸ F10 P00742 2/20 0.47
▸ PLG P00747 2/20 0.47
▸ TMPRSS11D O60235 4/20 0.46
▸ STS P08842 1/20 0.44

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
SCHEMBL9076770 1.00 F2 (0.59) F2PRSS1F10PLGTMPRSS11D
SCHEMBL7306031 0.85 TMPRSS11D (0.54) F2PRSS1F10PLGTMPRSS11D
SCHEMBL7305864 0.85 TMPRSS11D (0.54) F2PRSS1F10PLGTMPRSS11D
SCHEMBL9074726 0.83 F2 (0.62) F2PRSS1F10PLG
SCHEMBL9074718 0.83 F2 (0.62) F2PRSS1F10PLG
SCHEMBL22191887 0.75 F2 (1.00) F2F10
SCHEMBL7341151 0.74 TMPRSS11D (0.57) F2PRSS1F10PLGTMPRSS11D
SCHEMBL10404674 0.74 ACE (0.61) —
SCHEMBL10058307 0.74 ACE (0.61) —
SCHEMBL9076780 0.74 F2 (1.00) F2F10

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
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 — — US disclosed
EP-0623596-A1 N-acylpyrrolidines or N-acylpiperidines having a guanidinyl- or amidinyl-substituted side chain as thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 — — EP disclosed