SCHEMBL7307995

SCHEMBL7307995

CN1CCN(CCN2CC(CN3CCN(CCC(=O)O)CC3)OC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
HTR2B P41595 6/20 0.39
HRH3 Q9Y5N1 4/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PAOX Q6QHF9 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
TERT O14746 1/20 0.32

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
SCHEMBL7303856 0.93 MAPK1 (0.39) GLAHTR2BHRH3MAPK1L3MBTL1
SCHEMBL7309051 0.90 HTR2B (0.39) HTR2BHRH3MAPK1L3MBTL1HRH4
SCHEMBL7306892 0.88 SMN1; SMN2 (0.41) HTR2BHRH3L3MBTL1SIGMAR1
SCHEMBL7314624 0.87 HTR2B (0.39) GLAHTR2BHRH3MAPK1L3MBTL1
SCHEMBL7301308 0.85 HTR2B (0.35) GLAHTR2BMAPK1L3MBTL1MAOA
SCHEMBL7312749 0.85 HTR2B (0.36) GLAHTR2BMAPK1L3MBTL1
SCHEMBL7311133 0.84 MAPK1 (0.41) GLAHTR2BHRH3MAPK1L3MBTL1
SCHEMBL7308028 0.84 MAPK1 (0.39) GLAHTR2BMAPK1L3MBTL1TERT
SCHEMBL7317110 0.84 SIGMAR1 (0.47) HTR2BSIGMAR1
SCHEMBL7303812 0.83 MAOA (0.36) GLAHTR2BHRH3MAPK1L3MBTL1

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