SCHEMBL4871267

SCHEMBL4871267

NN(C(=O)O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 11/20 0.63
CHRM3 P20309 11/20 0.63
OPRM1 P35372 3/20 0.61
SIGMAR1 Q99720 2/20 0.58
CHRM4 P08173 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL27815666 0.91 CHRM2 (0.56) CHRM2CHRM3OPRM1SIGMAR1CHRM4
SCHEMBL17533481 0.86 OPRM1 (0.70) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL784863 0.82 SIGMAR1 (0.68) CHRM2CHRM3OPRM1SIGMAR1CHRM4
SCHEMBL16795159 0.81 CHRM2 (0.62) CHRM2CHRM3OPRM1SIGMAR1CHRM4
SCHEMBL19311894 0.80 ACHE (0.62) CHRM2CHRM3OPRM1SIGMAR1DRD2
SCHEMBL3325625 0.79 CHRM2 (0.56) CHRM2CHRM3OPRM1SIGMAR1CHRM4
SCHEMBL27473621 0.79 SIGMAR1 (0.65) CHRM2CHRM3OPRM1SIGMAR1MEN1
SCHEMBL1306000 0.78 OPRM1 (0.61) CHRM2CHRM3OPRM1SIGMAR1CHRM4
SCHEMBL9030647 0.78 SIGMAR1 (0.67) CHRM2CHRM3OPRM1SIGMAR1CHRM4
SCHEMBL2845483 0.77 KCNH2 (0.65) CHRM2CHRM3OPRM1SIGMAR1CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963303-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2008-09-03 EP disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 WO disclosed