SCHEMBL8659153

SCHEMBL8659153

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.37
S1PR5 Q9H228 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34

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
SCHEMBL8655832 0.95 HTR7 (0.37) HTR7CHRM2CHRM1GAAGRIN1
SCHEMBL8659172 0.94 S1PR5 (0.34) HTR7S1PR5CHRM2CHRM1GAA
SCHEMBL8655755 0.91 HTR7 (0.41) HTR7CHRM2CHRM1CYP1A2MAPK1
SCHEMBL8659270 0.90 HTR7 (0.36) HTR7CHRM2CHRM1GAAGRIN1
SCHEMBL8655420 0.90 S1PR5 (0.37) S1PR5CHRM2CHRM1CYP1A2MAPK1
SCHEMBL8654724 0.90 GAA (0.35) HTR7CHRM2CHRM1GAACYP1A2
SCHEMBL8658434 0.89 HTR7 (0.32) HTR7CHRM2CHRM1GAA
SCHEMBL8655407 0.88 HTR7 (0.40) HTR7CHRM2CHRM1GRIN1GRIN2B
SCHEMBL8658396 0.87 HTR7 (0.41) HTR7CHRM2CHRM1GRIN1GRIN2B
SCHEMBL8659155 0.87 CYP1A2 (0.37) HTR7CHRM2CHRM1CYP1A2MAPK1

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