SCHEMBL8947658

SCHEMBL8947658

CN(C(=O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N(CCNC(=O)OCc1ccccc1)C1CC1)[C@H]1CCCN(C(=N)N)C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.52
HPN P05981 1/20 0.52
ST14 Q9Y5Y6 1/20 0.52
F10 P00742 1/20 0.50

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
SCHEMBL8947670 0.88 F2 (0.66) F2
SCHEMBL9002687 0.85 REN (0.40) F2HPNST14F10
Hydrochloric Acid SCHEMBL8947783 0.85 F2 (0.55) F2
Hydrochloric Acid SCHEMBL8947620 0.85 F2 (0.55) F2
Hydrochloric Acid SCHEMBL9172115 0.85 F2 (0.55) F2
SCHEMBL7296960 0.83 F2 (0.53) F2
SCHEMBL7395424 0.81 F2 (0.60) F2
Acetic Acid SCHEMBL8947561 0.81 F2 (0.53) F2F10
SCHEMBL8574624 0.81 F2 (0.69) F2F10
Hydrochloric Acid SCHEMBL9002820 0.81 F2 (0.61) 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