SCHEMBL8848871

SCHEMBL8848871

CNc1ccc([N+](CC2CO2)(CC2CO2)c2ccc(NC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 17/20 0.34
CHRM3 P20309 13/20 0.34
CHRM4 P08173 11/20 0.34
CHRM1 P11229 10/20 0.34
CHRM5 P08912 13/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL10725696 0.79 CHRM2 (0.43) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL19164794 0.69 CHRM2 (0.44) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL15169281 0.68 ALDH1A1 (0.60) TSHR
SCHEMBL8848705 0.68 KIF11 (0.39) TSHR
SCHEMBL13948472 0.68 ALDH1A1 (0.60) TSHR
SCHEMBL9861061 0.67 MEN1 (0.38) TSHR
SCHEMBL19164280 0.66 CHRM2 (0.38) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL19164303 0.66 CHRM2 (0.49) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL13349635 0.65 TSHR (0.50) CHRM2CHRM3CHRM4CHRM1CHRM5
SCHEMBL19164798 0.64 CHRM2 (0.44) CHRM2CHRM3CHRM4CHRM1CHRM5

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-0785241-A2 Effect powder paint, its preparation and application HÜLS AKTIENGESELLSCHAFT (DE) 1997-07-23 EP disclosed