SCHEMBL7308518

SCHEMBL7308518

COC(=O)CCN1CCN(C2OC(=O)N(CCCC3CCN(C4CCCC4)CC3)C2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
GAA P10253 1/20 0.35
HTR7 P34969 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7315016 0.95 CHRM2 (0.38) CHRM2CHRM1GAAHTR7HSD17B10
SCHEMBL7309115 0.94 HTR7 (0.38) CHRM2CHRM1HTR7SMN1; SMN2HSD17B10
SCHEMBL7315805 0.94 SMN1; SMN2 (0.35) CHRM2CHRM1GAAHTR7SMN1; SMN2
SCHEMBL7314486 0.93 SIGMAR1 (0.35) CHRM2CHRM1GAAHTR7HSD17B10
SCHEMBL7315517 0.91 SMN1; SMN2 (0.37) CHRM2CHRM1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7318029 0.91 GRIN1 (0.40) CHRM2CHRM1HTR7SMN1; SMN2HSD17B10
SCHEMBL7309020 0.90 CHRM2 (0.38) CHRM2CHRM1HTR7SMN1; SMN2HSD17B10
SCHEMBL7314354 0.90 CHRM2 (0.38) CHRM2CHRM1GAAHTR7HSD17B10
SCHEMBL7310298 0.89 HTR4 (0.32) CHRM2CHRM1GAASMN1; SMN2
SCHEMBL7305548 0.87 CHRM2 (0.39) CHRM2CHRM1GAAHTR7SMN1; SMN2

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