SCHEMBL9727136

SCHEMBL9727136

COc1ccc(CN2CCC(NC(=O)c3cc4ccccc4oc3=O)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.67
MAOB P27338 2/20 0.59
ACHE P22303 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL9727091 0.89 DRD4 (0.70) DRD4MAOBACHEKDM4EALDH1A1
Iodide SCHEMBL9852252 0.80 DRD4 (0.59) DRD4MAOBACHEKDM4EALDH1A1
SCHEMBL9727116 0.80 MAOB (0.73) DRD4MAOBACHE
SCHEMBL9727049 0.80 MAOB (0.80) DRD4MAOBACHE
SCHEMBL9852062 0.79 DRD4 (0.71) DRD4MAOBACHEKDM4EALDH1A1
SCHEMBL9727095 0.79 DRD4 (0.72) DRD4MAOBACHEALDH1A1
SCHEMBL9852064 0.79 MCHR1 (0.66) DRD4ACHEKDM4EALDH1A1HPGD
SCHEMBL9727140 0.78 UTS2R (0.73) DRD4MAOBACHEKDM4EALDH1A1
SCHEMBL9727072 0.78 UTS2R (0.68) DRD4ACHERAB9A
SCHEMBL9872559 0.78 DRD4 (0.78) DRD4ACHE

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