SCHEMBL21393339

SCHEMBL21393339

CCN1C(=O)CCCC1C=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.36
PTGER4 P35408 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KMT2A Q03164 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17946216 0.88 CHRM2 (0.38) P2RX7PTGER4CHRM2CHRM4CHRM5
SCHEMBL11929362 0.88 CHRM2 (0.38) P2RX7PTGER4CHRM2CHRM4CHRM5
SCHEMBL12301043 0.88 CHRM2 (0.38) P2RX7PTGER4CHRM2CHRM4CHRM5
SCHEMBL21393382 0.79
SCHEMBL10587336 0.76 CHRM2 (0.45) P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL10491078 0.74 P2RX7 (0.37) P2RX7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9066543 0.73 CHRM2 (0.36) P2RX7PTGER4CHRM2CHRM4CHRM5
SCHEMBL17946153 0.73 CHRM2 (0.36) P2RX7PTGER4CHRM2CHRM4CHRM5
SCHEMBL12324926 0.73 PTGER4 (0.38) PTGER4
SCHEMBL22114509 0.72 PIK3CD (0.39) P2RX7CHRM2CHRM4CHRM5CHRM1

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
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed