SCHEMBL11204652

SCHEMBL11204652

CN(C)CCOCC([NH])=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRM3 P20309 1/20 0.45
CHRNA4 P43681 1/20 0.45
OPRK1 P41145 1/20 0.44
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
DNM1 Q05193 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
PHLPP2 Q6ZVD8 1/20 0.34
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL14450469 0.79 CES2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL6494106 0.79 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL8893027 0.77 CA12 (0.47) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL30738439 0.77 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL11204657 0.77 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL24784667 0.76 BLM (0.48) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL29638790 0.76 BLM (0.48) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL19396417 0.76 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL280516 0.76 CA12 (0.46) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL16297767 0.76 CA12 (0.46) 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
EP-0007572-B1 PHARMACEUTICAL MIXTURES CONTAINING AN AMANTADINE COMPOUND CIBA-GEIGY AG (CH) 1983-04-27 EP claimed