SCHEMBL8947640

SCHEMBL8947640

CC(=O)OCCNC(=O)CN(C(=O)[C@H](CC(=O)N[C@H]1CCCN(C(=N)N)C1)NS(=O)(=O)c1ccc2ccccc2c1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.53
HPN P05981 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48

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
SCHEMBL8719639 1.00 F2 (0.53) F2HPNST14
Acetic Acid SCHEMBL8947636 0.91 F2 (0.54) F2HPNST14
SCHEMBL8719630 0.90 F2 (0.43) F2HPNST14
Acetic Acid SCHEMBL8947937 0.82 F2 (0.69) F2
Acetic Acid SCHEMBL8947949 0.79 F2 (0.69) F2
SCHEMBL9004927 0.78 F2 (0.72) F2
Acetic Acid SCHEMBL8947692 0.78 F2 (0.70) F2
Acetic Acid SCHEMBL8947656 0.78 F2 (0.69) F2
Napsagatran Anhydrous SCHEMBL7294707 0.78 F2 (0.76) F2
Napsagatran Anhydrous SCHEMBL30693689 0.78 F2 (0.76) 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-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed