SCHEMBL8655407

SCHEMBL8655407

CN1C(=O)OC(N2CCN(CCC(=O)O)CC2)C1CCC1CCN(C2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
GRIN2B Q13224 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HSD17B10 Q99714 1/20 0.33
GRIN1 Q05586 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
SCHEMBL8655832 0.93 HTR7 (0.37) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL8659391 0.91 HTR7 (0.39) HTR7CHRM2CHRM1KDM4EMEN1
SCHEMBL8655425 0.89 HTR7 (0.38) HTR7CHRM2CHRM1KDM4EALDH1A1
SCHEMBL8658396 0.89 HTR7 (0.41) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL8658434 0.89 HTR7 (0.32) HTR7CHRM2CHRM1
SCHEMBL8659153 0.88 HTR7 (0.37) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL8656805 0.86 HTR7 (0.38) HTR7CHRM2CHRM1KDM4EALDH1A1
SCHEMBL8659398 0.86 HTR7 (0.37) HTR7CHRM2CHRM1KDM4EHSD17B10
SCHEMBL8655755 0.85 HTR7 (0.41) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL8661783 0.85 GLA (0.31)

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