SCHEMBL31119898

SCHEMBL31119898

CC1CCC2CC1(c1nc3ccccc3s1)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CASR P41180 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
CHRNA7 P36544 1/20 0.34
TXN P10599 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8076566 0.74
SCHEMBL8535008 0.68
SCHEMBL9493824 0.68
SCHEMBL4954546 0.68 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22171182 0.66 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15064136 0.65 CNR1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15081857 0.65 CNR1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10892217 0.64 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL15228279 0.63 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2590119 0.63 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3

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-2024195628-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, PARTITION WALL, ORGANIC ELECTROLUMINESCENT ELEMENT, COLOR FILTER AND IMAGE DISPLAY DEVICE 三菱ケミカル株式会社 2024-09-26 WO disclosed