SCHEMBL7309115

SCHEMBL7309115

COC(=O)CCN1CCN(C2OC(=O)N(CCC3CCN(C4CCCCC4)CC3)C2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GRIN2B Q13224 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GRIN1 Q05586 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL7309020 0.95 CHRM2 (0.38) HTR7HSD17B10SMN1; SMN2CHRM2CHRM1
SCHEMBL7308518 0.94 CHRM2 (0.36) HTR7KDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL7307085 0.93 SIGMAR1 (0.38) HTR7HSD17B10ALDH1A1CHRM2CHRM1
SCHEMBL7318029 0.90 GRIN1 (0.40) HTR7KDM4EHSD17B10SMN1; SMN2CHRM2
SCHEMBL7300978 0.90 HTR7 (0.39) HTR7KDM4EHSD17B10ALDH1A1CHRM2
SCHEMBL7315016 0.89 CHRM2 (0.38) HTR7HSD17B10CHRM2CHRM1GRIN2B
SCHEMBL7315805 0.89 SMN1; SMN2 (0.35) HTR7KDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL7316521 0.86 SMN1; SMN2 (0.41) HTR7KDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL7314486 0.86 SIGMAR1 (0.35) HTR7HSD17B10CHRM2CHRM1SIGMAR1
SCHEMBL7309953 0.86 SMN1; SMN2 (0.36) KDM4ESMN1; SMN2ALDH1A1

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