SCHEMBL19708014

SCHEMBL19708014

COP(OCCN(C)C)OCCN(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNA4 P43681 1/20 0.34
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.33
HTR7 P34969 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL20924767 0.95 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL19708012 0.91 DNM1 (0.32) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL9533464 0.86 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL11831916 0.83 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL18746537 0.80 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL19480654 0.78
SCHEMBL20924715 0.78 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL16501550 0.75 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL29350415 0.72
SCHEMBL3032685 0.70 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2

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-2017214165-A1 IONIC POLYMERS COMPRISING FLUORESCENT OR COLORED REPORTER GROUPS SONY CORPORATION (JP) 2017-12-14 WO disclosed