SCHEMBL9727095

SCHEMBL9727095

COc1ccc(CN2CCC(NC(=O)c3occ4ccccc34)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.72
SIGMAR1 Q99720 1/20 0.61
MCHR1 Q99705 6/20 0.59
MAOB P27338 2/20 0.58
ACHE P22303 1/20 0.55
CCR3 P51677 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
Iodide SCHEMBL9852255 0.91 DRD4 (0.60) DRD4SIGMAR1MCHR1MAOBACHE
SCHEMBL9852082 0.91 DRD4 (0.73) DRD4SIGMAR1MCHR1MAOBACHE
SCHEMBL9727149 0.90 DRD4 (0.58) DRD4SIGMAR1MCHR1MAOBALDH1A1
SCHEMBL9727135 0.90 DRD4 (0.67) DRD4SIGMAR1MCHR1MAOB
Dimethylamine SCHEMBL9852061 0.89 DRD4 (0.63) DRD4SIGMAR1MCHR1MAOB
SCHEMBL9727173 0.89 SIGMAR1 (0.57) DRD4SIGMAR1MCHR1MAOBACHE
SCHEMBL9727123 0.89 DRD4 (0.69) DRD4SIGMAR1MCHR1MAOBSMN1; SMN2
SCHEMBL9727235 0.89 DRD4 (0.58) DRD4SIGMAR1MCHR1MAOBACHE
SCHEMBL9727078 0.89 DRD4 (0.57) DRD4SIGMAR1MCHR1
SCHEMBL9852087 0.87 DRD4 (0.61) DRD4SIGMAR1MCHR1MAOBACHE

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