SCHEMBL9075817

SCHEMBL9075817

N=C(N)N1CCC[C@@H](C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)NS(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 19/20 1.00
▸ F10 P00742 1/20 0.57

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
SCHEMBL8154518 1.00 F2 (1.00) F2F10
SCHEMBL9073858 1.00 F2 (1.00) F2F10
SCHEMBL9076780 0.92 F2 (1.00) F2F10
SCHEMBL22191887 0.90 F2 (1.00) F2F10
SCHEMBL9075596 0.88 F2 (0.86) F2
SCHEMBL9075587 0.88 F2 (0.86) F2
SCHEMBL9075686 0.87 F2 (1.00) F2
SCHEMBL9076788 0.85 F2 (0.76) F2
SCHEMBL22191883 0.85 F2 (1.00) F2F10
SCHEMBL9076783 0.84 F2 (0.79) 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
Send feedback