SCHEMBL7342103

SCHEMBL7342103

C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC=NN

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.67
TAAR1 Q96RJ0 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
SCHEMBL7342278 1.00 F2 (0.67) F2TAAR1
SCHEMBL7342098 0.89 F2 (0.70) F2
SCHEMBL7342082 0.89 F2 (0.70) F2
SCHEMBL7342636 0.89 F2 (0.64) F2
SCHEMBL7342261 0.89 F2 (0.70) F2
SCHEMBL7335493 0.89 F2 (0.64) F2
SCHEMBL6971414 0.87 F2 (0.57) F2
SCHEMBL7350482 0.87 F2 (0.57) F2
SCHEMBL7340279 0.86 F2 (0.59) F2
SCHEMBL7341634 0.86 F2 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601459-A2 Sulfonamido heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-15 EP claimed