SCHEMBL8895872

SCHEMBL8895872

[CH2]CCC(=O)OCCN(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.59
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRNB2 P17787 1/20 0.52
CHRM3 P20309 1/20 0.52
CHRNA4 P43681 1/20 0.52
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.42
BLM P54132 2/20 0.41
PMP22 Q01453 1/20 0.41
THRB P10828 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3038090 0.87 DNM1 (0.68) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9188800 0.86 DNM1 (0.44) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11668491 0.85 DNM1 (0.66) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL12540745 0.83 DNM1 (0.75) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1333132 0.83 DNM1 (0.81) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10385363 0.81 DNM1 (0.85) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL12254779 0.81 DNM1 (0.61) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8367998 0.81 DNM1 (0.72) DNM1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL1827144 0.81 DNM1 (0.72) DNM1CHRM2CHRM4CHRM5CHRM1
SCHEMBL16259348 0.79 DNM1 (0.59) DNM1CHRM2CHRM4CHRM5CHRM1

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
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed