SCHEMBL9727173

SCHEMBL9727173

O=C(NC1CCN(Cc2ccc(O)cc2)CC1)c1occ2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
DRD4 P21917 10/20 0.57
MAOB P27338 1/20 0.54
MCHR1 Q99705 2/20 0.53
SLC6A12 P48065 1/20 0.52
SLC6A13 Q9NSD5 1/20 0.52
ACHE P22303 1/20 0.52

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
SCHEMBL9727135 0.92 DRD4 (0.67) SIGMAR1DRD4MAOBMCHR1SLC6A12
SCHEMBL9727123 0.92 DRD4 (0.69) SIGMAR1DRD4MAOBMCHR1SLC6A12
Dimethylamine SCHEMBL9852061 0.89 DRD4 (0.63) SIGMAR1DRD4MAOBMCHR1SLC6A12
SCHEMBL9727095 0.89 DRD4 (0.72) SIGMAR1DRD4MAOBMCHR1ACHE
SCHEMBL9852073 0.87 DRD4 (0.54) SIGMAR1DRD4MAOBMCHR1
SCHEMBL9727255 0.87 DRD4 (0.66) SIGMAR1DRD4MAOBACHE
SCHEMBL9483648 0.85 DRD4 (0.52) DRD4MAOBMCHR1SLC6A12SLC6A13
SCHEMBL9727149 0.85 DRD4 (0.58) SIGMAR1DRD4MAOBMCHR1
SCHEMBL9852082 0.81 DRD4 (0.73) SIGMAR1DRD4MAOBMCHR1ACHE
Iodide SCHEMBL9852255 0.80 DRD4 (0.60) SIGMAR1DRD4MAOBMCHR1ACHE

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
US-5098915-A Antiarrhythmia agents G. D. SEARLE & CO. (US) 1992-03-24 US claimed
EP-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP claimed