SCHEMBL8639466

SCHEMBL8639466

COc1cc2c(cc1N1CCN(CCC3CCCc4ccccc43)CC1)OCC2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
DRD4 P21917 3/20 0.53
DRD2 P14416 2/20 0.53
KCNH2 Q12809 2/20 0.49

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
SCHEMBL9041264 0.97 SIGMAR1 (0.50) SIGMAR1DRD4DRD2KCNH2
SCHEMBL7811838 0.91 HTR2C (0.48) KCNH2
SCHEMBL7805201 0.85 HTR2C (0.43) SIGMAR1DRD4DRD2
SCHEMBL7805133 0.78 DRD2 (0.55) SIGMAR1DRD2
SCHEMBL9166656 0.77 SIGMAR1 (0.80) SIGMAR1DRD4DRD2
SCHEMBL9014693 0.76 SIGMAR1 (0.55) SIGMAR1DRD4DRD2
SCHEMBL7822917 0.75 HTR2C (0.41)
SCHEMBL7805210 0.75 ADRA1D (0.45) SIGMAR1KCNH2
SCHEMBL7811843 0.74 ADRA1B (0.41) SIGMAR1DRD4DRD2
SCHEMBL7397389 0.74 DRD4 (0.66) SIGMAR1DRD4DRD2

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
US-5753662-A TREATING DOPAMINERGIC SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1998-05-19 US disclosed
US-5684020-A ANTIPSYCHOTICS, ANTIDEPRESSANTS, TREATMENT OF DYSFUNCTION OF DOPAMINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1997-11-04 US disclosed
EP-0745598-A1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed