SCHEMBL8720076

SCHEMBL8720076

N=C(N)N1CCC(CNC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NC2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.67

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
SCHEMBL8717349 0.96 F2 (0.65) F2
SCHEMBL8717274 0.93 F2 (0.72) F2
SCHEMBL8716837 0.87 F2 (0.66) F2
SCHEMBL8717257 0.86 F2 (0.63) F2
Hydrochloric Acid SCHEMBL8719791 0.85 F2 (0.63) F2
SCHEMBL8717082 0.84 F2 (0.71) F2
SCHEMBL8717215 0.84 F2 (0.71) F2
Hydrochloric Acid SCHEMBL8927482 0.84 F2 (0.63) F2
Hydrochloric Acid SCHEMBL8716826 0.83 F2 (0.65) F2
SCHEMBL8947796 0.83 F2 (0.63) 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
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed