SCHEMBL9727255

SCHEMBL9727255

O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1occ2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.66
SIGMAR1 Q99720 4/20 0.61
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
BACE1 P56817 2/20 0.53
MAOB P27338 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50

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 0.88 DRD4 (0.67) DRD4SIGMAR1MAOBTMEM97
SCHEMBL9727123 0.87 DRD4 (0.69) DRD4SIGMAR1MAOB
SCHEMBL9727173 0.87 SIGMAR1 (0.57) DRD4SIGMAR1ACHEMAOB
SCHEMBL9852241 0.86 DRD4 (0.60) DRD4SIGMAR1BCHEACHEBACE1
Dimethylamine SCHEMBL9852061 0.85 DRD4 (0.63) DRD4SIGMAR1MAOB
SCHEMBL9727177 0.85 DRD4 (0.54) DRD4SIGMAR1ACHEMAOB
SCHEMBL9727095 0.84 DRD4 (0.72) DRD4SIGMAR1ACHEMAOB
SCHEMBL9852237 0.84 DRD4 (0.57) DRD4SIGMAR1ACHEMAOB
SCHEMBL9852073 0.83 DRD4 (0.54) DRD4SIGMAR1MAOB
SCHEMBL9483648 0.81 DRD4 (0.52) DRD4MAOB

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