SCHEMBL7316738

SCHEMBL7316738

COC(=O)CCCN1CCN(C2OC(=O)N(CCCCN3CCN(C4CCCCC4)CC3)C2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

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
HTR7 P34969 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL7318029 0.96 GRIN1 (0.40) GRIN1GRIN2BCHRM2CHRM1HTR7
SCHEMBL7315401 0.93 GRIN1 (0.41) GRIN1GRIN2BCHRM2CHRM1HTR7
SCHEMBL7309020 0.92 CHRM2 (0.38) GRIN1GRIN2BCHRM2CHRM1HTR7
SCHEMBL7315016 0.92 CHRM2 (0.38) GRIN1GRIN2BCHRM2CHRM1HTR7
SCHEMBL7304274 0.91 SMN1; SMN2 (0.34) GRIN1GRIN2BCHRM2CHRM1HTR7
SCHEMBL7314235 0.89 GRIN1 (0.42) GRIN1GRIN2BCHRM2CHRM1HTR7
SCHEMBL7310298 0.89 HTR4 (0.32) CHRM2CHRM1
SCHEMBL7307179 0.88 OPRL1 (0.33) CHRM2
SCHEMBL7317126 0.87 GRIN1 (0.42) GRIN1GRIN2BCHRM2CHRM1HTR7
SCHEMBL7308518 0.87 CHRM2 (0.36) GRIN1GRIN2BCHRM2CHRM1HTR7

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