SCHEMBL8655832

SCHEMBL8655832

CN1C(=O)OC(N2CCN(CCC(=O)O)CC2)C1CCCC1CCN(C2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GAA P10253 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
SLC18A3 Q16572 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
SCHEMBL8659153 0.95 HTR7 (0.37) HTR7CHRM2CHRM1GAAGRIN1
SCHEMBL8658434 0.94 HTR7 (0.32) HTR7CHRM2CHRM1GAA
SCHEMBL8655407 0.93 HTR7 (0.40) HTR7CHRM2CHRM1GRIN1GRIN2B
SCHEMBL8659270 0.91 HTR7 (0.36) HTR7CHRM2CHRM1GAAGRIN1
SCHEMBL8658396 0.90 HTR7 (0.41) HTR7CHRM2CHRM1GRIN1GRIN2B
SCHEMBL8659051 0.90 ACHE (0.33) CHRM2CHRM1
SCHEMBL8659172 0.89 S1PR5 (0.34) HTR7CHRM2CHRM1GAA
SCHEMBL8654724 0.87 GAA (0.35) HTR7CHRM2CHRM1GAA
SCHEMBL8655755 0.86 HTR7 (0.41) HTR7CHRM2CHRM1GRIN1GRIN2B
SCHEMBL8655349 0.86 ITGB3 (0.43)

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
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed