SCHEMBL8658396

SCHEMBL8658396

CN1C(=O)OC(N2CCN(CCC(=O)O)CC2)C1CCCCN1CCN(C2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL8655755 0.96 HTR7 (0.41) HTR7GRIN1GRIN2BCHRM2CHRM1
SCHEMBL8659427 0.92 HTR7 (0.41) HTR7GRIN1GRIN2BCHRM2CHRM1
SCHEMBL8655832 0.90 HTR7 (0.37) HTR7GRIN1GRIN2BCHRM2CHRM1
SCHEMBL8655407 0.89 HTR7 (0.40) HTR7GRIN1GRIN2BCHRM2CHRM1
SCHEMBL8658434 0.88 HTR7 (0.32) HTR7CHRM2CHRM1
SCHEMBL8658344 0.87 GLA (0.33)
SCHEMBL8659153 0.87 HTR7 (0.37) HTR7GRIN1GRIN2BCHRM2CHRM1
SCHEMBL8654666 0.87 HTR7 (0.39) HTR7GRIN1GRIN2BCHRM2CHRM1
SCHEMBL8656805 0.87 HTR7 (0.38) HTR7CHRM2CHRM1
SCHEMBL8658006 0.85 HTR7 (0.39) HTR7GRIN1GRIN2BCHRM2CHRM1

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