SCHEMBL7313111

SCHEMBL7313111

CC(C)N1CCC(CCN2C(=O)OC(N3CCN(CCC(=O)O)CC3)C2C)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL7309143 0.94 CYP1A2 (0.32) HRH3DRD2DRD3
SCHEMBL7304254 0.91 HRH3 (0.33) HRH3
SCHEMBL7309953 0.89 SMN1; SMN2 (0.36) HRH3DRD2DRD3
SCHEMBL7311515 0.87 MAOB (0.37) GLA
SCHEMBL7305673 0.86 HRH3 (0.31) HRH3DRD2DRD3
SCHEMBL7314775 0.85 HRH3 (0.36) HRH3
SCHEMBL7300978 0.85 HTR7 (0.39)
SCHEMBL7301320 0.84 DRD2 (0.33) DRD2DRD3GLA
SCHEMBL8661783 0.83 GLA (0.31) HRH3GLA
SCHEMBL7308443 0.83 ACHE (0.46)

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