SCHEMBL7305548

SCHEMBL7305548

CC1C(N2CCN(CCCC(=O)O)CC2)OC(=O)N1CCCC1CCN(C2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
GAA P10253 1/20 0.36
HTR7 P34969 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
S1PR5 Q9H228 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY1R P25929 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7314354 0.95 CHRM2 (0.38) CHRM2CHRM1GAAHTR7GRIN1
SCHEMBL7305895 0.94 CHRM2 (0.39) CHRM2CHRM1HTR7GRIN1GRIN2B
SCHEMBL7305674 0.93 S1PR5 (0.33) CHRM2CHRM1GAAGRIN1GRIN2B
SCHEMBL7314235 0.91 GRIN1 (0.42) CHRM2CHRM1HTR7GRIN1GRIN2B
SCHEMBL7305000 0.90 CHRM2 (0.36) CHRM2CHRM1GAAHTR7GRIN1
SCHEMBL7315892 0.90 S1PR5 (0.36) CHRM2CHRM1S1PR5CYP1A2MAPK1
SCHEMBL7315016 0.90 CHRM2 (0.38) CHRM2CHRM1GAAHTR7GRIN1
SCHEMBL7344820 0.89 HRH1 (0.32) CHRM2CHRM1GAAHTR7GRIN1
SCHEMBL7300978 0.89 HTR7 (0.39) CHRM2CHRM1HTR7GRIN1GRIN2B
SCHEMBL7317126 0.87 GRIN1 (0.42) CHRM2CHRM1HTR7GRIN1GRIN2B

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-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed