SCHEMBL15501121

SCHEMBL15501121

C=CN(C)c1cc(OC)c(OC)cc1NC(=O)N1C=CC(=O)CC1c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.71
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 1/20 0.33

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
SCHEMBL1101409 0.92 P2RX7 (0.80) P2RX7SMN1; SMN2HSD17B10TRPV1KMT2A
SCHEMBL1100253 0.84 P2RX7 (0.79) P2RX7SMN1; SMN2HSD17B10TRPV1
SCHEMBL1099750 0.84 P2RX7 (1.00) P2RX7SMN1; SMN2
SCHEMBL1099236 0.83 P2RX7 (1.00) P2RX7SMN1; SMN2HSD17B10TRPV1KMT2A
SCHEMBL1100118 0.81 P2RX7 (0.78) P2RX7SMN1; SMN2HSD17B10TRPV1KMT2A
SCHEMBL1100095 0.81 P2RX7 (0.84) P2RX7SMN1; SMN2HSD17B10
SCHEMBL1098654 0.81 P2RX7 (0.84) P2RX7SMN1; SMN2HSD17B10
SCHEMBL1098514 0.80 P2RX7 (0.76) P2RX7HSD17B10TRPV1
SCHEMBL1098788 0.80 P2RX7 (0.84) P2RX7SMN1; SMN2KMT2A
SCHEMBL1100057 0.80 P2RX7 (0.84) P2RX7SMN1; SMN2KMT2A

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-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed