SCHEMBL9074718

SCHEMBL9074718

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 16/20 0.62
▸ PRSS1 P07477 3/20 0.52
▸ F10 P00742 2/20 0.45
▸ PLG P00747 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ ST14 Q9Y5Y6 1/20 0.45
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ DPP7 Q9UHL4 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
SCHEMBL9074726 1.00 F2 (0.62) F2PRSS1F10PLGPLAU
SCHEMBL7346744 0.85 F2 (0.54) F2PRSS1F10PLG
SCHEMBL9076763 0.83 F2 (0.59) F2PRSS1F10PLG
SCHEMBL9076770 0.83 F2 (0.59) F2PRSS1F10PLG
SCHEMBL9073567 0.83 F2 (0.51) F2PRSS1F10PLG
SCHEMBL7339307 0.80 F2 (0.56) F2F10PLG
SCHEMBL9077005 0.80 F2 (0.49) F2PRSS1F10PLGPLAU
SCHEMBL9077003 0.80 F2 (0.49) F2PRSS1F10PLGPLAU
SCHEMBL7338542 0.78 F2 (0.54) F2PRSS1F10PLG
SCHEMBL9012346 0.78 F2 (0.51) F2PRSS1F10PLG

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
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