SCHEMBL7349871

SCHEMBL7349871

N=C(N)NCCCCCSC[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 13/20 0.58
▸ F10 P00742 2/20 0.43
▸ PLAU P00749 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
SCHEMBL9074055 0.89 F2 (0.58) F2
SCHEMBL7342883 0.87 F2 (0.77) F2F10
SCHEMBL7342705 0.84 F2 (0.77) F2F10
SCHEMBL7205428 0.76 F2 (0.49) F2
SCHEMBL7341602 0.75 F2 (0.44) F2
SCHEMBL7339989 0.75 F2 (0.81) F2F10PLAU
SCHEMBL9074186 0.75 F2 (0.81) F2F10PLAU
SCHEMBL9073775 0.75 F2 (0.48) F2F10PLAU
SCHEMBL9073910 0.75 F2 (0.77) F2F10
SCHEMBL7344650 0.74 F2 (0.51) F2

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-0623595-A1 Guanidinyl- or amidinyl-substituted heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 — — EP disclosed
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