SCHEMBL9527697

SCHEMBL9527697

CC(C)N1CCO[C@H](COc2cccc3c2N(C(C)C)CCC3)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.61
DRD4 P21917 10/20 0.42
ERBB2 P04626 1/20 0.39
EPHA2 P29317 1/20 0.39
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
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
SCHEMBL9527692 1.00 HRH3 (0.61) HRH3DRD4ERBB2EPHA2KDR
SCHEMBL10634418 0.90 HRH3 (0.61) HRH3DRD4ERBB2EPHA2KDR
SCHEMBL10634404 0.90 HRH3 (0.61) HRH3DRD4ERBB2EPHA2KDR
SCHEMBL9529387 0.85 HRH3 (0.56) HRH3DRD4PDK1
SCHEMBL10634377 0.85 DRD4 (0.62) DRD4
SCHEMBL10634389 0.85 DRD4 (0.62) DRD4
SCHEMBL9528227 0.85 HRH3 (0.56) HRH3DRD4PDK1
SCHEMBL11630724 0.85 HRH3 (0.66) HRH3DRD4ERBB2EPHA2KDR
SCHEMBL9528170 0.80 HRH3 (0.60) HRH3DRD4ERBB2EPHA2KDR
SCHEMBL9528172 0.80 HRH3 (0.60) HRH3DRD4ERBB2EPHA2KDR

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 3 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 claimed
US-4782054-A ANTIISCHEMIC, ANTIHYPOXIC, STIMULANTS ADIR ET COMPAGNIE (FR) 1988-11-01 US disclosed