SCHEMBL7423702

SCHEMBL7423702

CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC(CCOC(=O)CC(=O)O)CC2)C1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.64

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
SCHEMBL7426258 0.94 F2 (0.64) F2
SCHEMBL7426267 0.94 F2 (0.64) F2
Acetic Acid SCHEMBL7419307 0.91 F2 (0.63) F2
Acetic Acid SCHEMBL7419309 0.91 F2 (0.63) F2
SCHEMBL7419880 0.91 F2 (0.74) F2
SCHEMBL7419885 0.91 F2 (0.74) F2
SCHEMBL7418613 0.89 F2 (0.70) F2
SCHEMBL7418617 0.89 F2 (0.70) F2
Acetic Acid SCHEMBL7419409 0.89 F2 (0.66) F2
Acetic Acid SCHEMBL7419406 0.89 F2 (0.66) 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
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 WO disclosed