SCHEMBL9727123

SCHEMBL9727123

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

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.69
MCHR1 Q99705 1/20 0.61
SIGMAR1 Q99720 1/20 0.57
MAOB P27338 1/20 0.54
SLC6A12 P48065 2/20 0.53
TEAD1 P28347 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
SLC6A13 Q9NSD5 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) DRD4MCHR1SIGMAR1MAOBSLC6A12
SCHEMBL9727173 0.92 SIGMAR1 (0.57) DRD4MCHR1SIGMAR1MAOBSLC6A12
Dimethylamine SCHEMBL9852061 0.89 DRD4 (0.63) DRD4MCHR1SIGMAR1MAOBSLC6A12
SCHEMBL9727095 0.89 DRD4 (0.72) DRD4MCHR1SIGMAR1MAOBSMN1; SMN2
SCHEMBL9727255 0.87 DRD4 (0.66) DRD4SIGMAR1MAOB
SCHEMBL9852073 0.87 DRD4 (0.54) DRD4MCHR1SIGMAR1MAOB
SCHEMBL9483648 0.85 DRD4 (0.52) DRD4MCHR1MAOBSLC6A12SLC6A13
SCHEMBL9727149 0.85 DRD4 (0.58) DRD4MCHR1SIGMAR1MAOBSMN1; SMN2
SCHEMBL9727235 0.83 DRD4 (0.58) DRD4MCHR1SIGMAR1MAOB
SCHEMBL9852082 0.81 DRD4 (0.73) DRD4MCHR1SIGMAR1MAOB

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
US-5098915-A Antiarrhythmia agents G. D. SEARLE & CO. (US) 1992-03-24 US claimed