SCHEMBL9076330

SCHEMBL9076330

O=C(NC[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1cccc2ccccc12)NN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 15/20 0.54
▸ F10 P00742 1/20 0.44
▸ PREP P48147 1/20 0.42
▸ SLC6A9 P48067 1/20 0.41

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
SCHEMBL9076326 0.81 F2 (0.56) F2
SCHEMBL9073775 0.76 F2 (0.48) F2F10
SCHEMBL9076336 0.75 F2 (0.47) F2F10
SCHEMBL7349871 0.74 F2 (0.58) F2F10
SCHEMBL9074055 0.72 F2 (0.58) F2
SCHEMBL9075662 0.72 F2 (0.53) F2F10
SCHEMBL9075654 0.72 F2 (0.53) F2F10
SCHEMBL15155362 0.71 F2 (0.72) F2
SCHEMBL9074437 0.70 F2 (0.83) F2
SCHEMBL9076654 0.70 F2 (0.70) 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-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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