SCHEMBL9076326

SCHEMBL9076326

O=C(NC[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1cccc2ccccc12)C1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 15/20 0.56
▸ HTR6 P50406 5/20 0.45
▸ HTR1A P08908 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2B P41595 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
SCHEMBL9076330 0.81 F2 (0.54) F2
SCHEMBL9075662 0.76 F2 (0.53) F2
SCHEMBL9075654 0.76 F2 (0.53) F2
SCHEMBL9073775 0.75 F2 (0.48) F2
SCHEMBL25273355 0.73 HTR6 (0.59) HTR6HTR1AHTR1BHTR7HTR2B
SCHEMBL9076336 0.72 F2 (0.47) F2
SCHEMBL8154518 0.72 F2 (1.00) F2
SCHEMBL7349871 0.72 F2 (0.58) F2
SCHEMBL9073858 0.72 F2 (1.00) F2
SCHEMBL9075817 0.72 F2 (1.00) 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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