SCHEMBL172277

SCHEMBL172277

C=C(O)c1ccc(-c2csc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)n2)cc1

nearest known ligand 0.86

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 0.86

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
SCHEMBL126944 0.94 CASR (0.89) CASR
SCHEMBL172222 0.93 CASR (1.00) CASR
Hydrochloric Acid SCHEMBL128247 0.92 CASR (0.98) CASR
SCHEMBL125231 0.91 CASR (0.90) CASR
SCHEMBL126474 0.90 CASR (0.89) CASR
SCHEMBL127866 0.90 CASR (0.89) CASR
SCHEMBL128079 0.90 CASR (0.89) CASR
SCHEMBL127969 0.90 CASR (0.89) CASR
SCHEMBL126652 0.90 CASR (0.92) CASR
SCHEMBL127377 0.90 CASR (0.87) CASR

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-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed