SCHEMBL7300978

SCHEMBL7300978

CC1C(N2CCN(CCC(=O)O)CC2)OC(=O)N1CCC1CCN(C2CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
GRIN2B Q13224 3/20 0.35
GRIN1 Q05586 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7305895 0.94 CHRM2 (0.39) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL7314354 0.93 CHRM2 (0.38) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL7315123 0.91 HTR7 (0.38) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL7309115 0.90 HTR7 (0.38) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL7317126 0.89 GRIN1 (0.42) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL7305548 0.89 CHRM2 (0.39) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL7344820 0.88 HRH1 (0.32) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL7309020 0.86 CHRM2 (0.38) HTR7CHRM2CHRM1GRIN2BGRIN1
SCHEMBL7307085 0.85 SIGMAR1 (0.38) HTR7CHRM2CHRM1MEN1KMT2A
SCHEMBL7314634 0.85 GLA (0.38) HTR7CHRM2CHRM1GRIN2BGRIN1

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