SCHEMBL2773592

SCHEMBL2773592

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2cnc(C(F)(F)F)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 18/20 0.46
P2RX2 Q9UBL9 18/20 0.46
LIPE Q05469 2/20 0.41

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
SCHEMBL2779221 0.87 LIPE (0.54) P2RX3P2RX2LIPE
SCHEMBL2776637 0.86 CCR1 (0.45)
SCHEMBL2777291 0.84 EPHX2 (0.53) LIPE
SCHEMBL2774358 0.84 LIPE (0.59) LIPE
SCHEMBL2776253 0.83 LIPE (0.45) LIPE
SCHEMBL2776309 0.83 ACACB (0.46)
SCHEMBL2774939 0.82 ACACB (0.44)
SCHEMBL2775987 0.82 ACACB (0.42)
SCHEMBL2775973 0.82 CCR1 (0.45)
Hydrochloric Acid SCHEMBL2774482 0.82 LIPE (0.43) P2RX3P2RX2LIPE

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-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed