SCHEMBL9529387

SCHEMBL9529387

CC(=O)N1CCCc2cccc(OC[C@@H]3CN(C(C)C)CCO3)c21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.56
NOTUM Q6P988 1/20 0.37
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDK1 Q15118 1/20 0.37

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
SCHEMBL9528227 1.00 HRH3 (0.56) HRH3NOTUMDRD4ALDH1A1PDK1
SCHEMBL10628343 0.87 PDK1 (0.45) HRH3NOTUMALDH1A1PDK1
SCHEMBL10628341 0.87 PDK1 (0.45) HRH3NOTUMALDH1A1PDK1
SCHEMBL9527697 0.85 HRH3 (0.61) HRH3DRD4PDK1
SCHEMBL9527692 0.85 HRH3 (0.61) HRH3DRD4PDK1
SCHEMBL10634418 0.85 HRH3 (0.61) HRH3DRD4
SCHEMBL10634404 0.85 HRH3 (0.61) HRH3DRD4
SCHEMBL10631542 0.83 DRD4 (0.41) DRD4
SCHEMBL10634373 0.83 DRD4 (0.59) DRD4
SCHEMBL10634378 0.83 DRD4 (0.59) DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286495-B1 MORPHOLINE DERIVATIVES, THEIR PROCESS OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1993-05-12 EP claimed
US-4782054-A ANTIISCHEMIC, ANTIHYPOXIC, STIMULANTS ADIR ET COMPAGNIE (FR) 1988-11-01 US disclosed