SCHEMBL7318029

SCHEMBL7318029

COC(=O)CCN1CCN(C2OC(=O)N(CCCCN3CCN(C4CCCCC4)CC3)C2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR7 P34969 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7316738 0.96 GRIN1 (0.40) GRIN1GRIN2BCHRM2CHRM1HSD17B10
SCHEMBL7315401 0.93 GRIN1 (0.41) GRIN1GRIN2BCHRM2CHRM1HTR7
SCHEMBL7308518 0.91 CHRM2 (0.36) GRIN1GRIN2BCHRM2CHRM1KDM4E
SCHEMBL7309115 0.90 HTR7 (0.38) GRIN1GRIN2BCHRM2CHRM1KDM4E
SCHEMBL7317126 0.89 GRIN1 (0.42) GRIN1GRIN2BCHRM2CHRM1HTR7
SCHEMBL7316521 0.89 SMN1; SMN2 (0.41) GRIN2BKDM4EHSD17B10HTR7SMN1; SMN2
SCHEMBL7309020 0.88 CHRM2 (0.38) GRIN1GRIN2BCHRM2CHRM1HSD17B10
SCHEMBL7315016 0.88 CHRM2 (0.38) GRIN1GRIN2BCHRM2CHRM1HSD17B10
SCHEMBL7313049 0.88 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2
SCHEMBL7315805 0.88 SMN1; SMN2 (0.35) CHRM2CHRM1KDM4EHSD17B10HTR7

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