SCHEMBL9727091

SCHEMBL9727091

COc1ccc(CN2CCC(NC(=O)c3cc4ccccc4o3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.70
ACHE P22303 3/20 0.68
UTS2R Q9UKP6 1/20 0.67
MCHR1 Q99705 5/20 0.66
KCNH2 Q12809 1/20 0.66
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
HSD17B10 Q99714 1/20 0.65
SIGMAR1 Q99720 1/20 0.61
MAOB P27338 1/20 0.60
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
HTR2B P41595 1/20 0.59
RAB9A P51151 1/20 0.58
CCR3 P51677 1/20 0.57

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 SCHEMBL9852252 0.91 DRD4 (0.59) DRD4ACHEUTS2RMCHR1KCNH2
SCHEMBL9852062 0.90 DRD4 (0.71) DRD4ACHEUTS2RMCHR1KCNH2
SCHEMBL9852064 0.90 MCHR1 (0.66) DRD4ACHEUTS2RMCHR1KCNH2
SCHEMBL9727072 0.89 UTS2R (0.68) DRD4ACHEUTS2RMCHR1DRD2
SCHEMBL9727140 0.89 UTS2R (0.73) DRD4ACHEUTS2RMCHR1KCNH2
SCHEMBL9727136 0.89 DRD4 (0.67) DRD4ACHEKDM4EALDH1A1HPGD
SCHEMBL9727131 0.88 MAOB (0.74) DRD4ACHEUTS2RMCHR1KCNH2
SCHEMBL9727231 0.88 MCHR1 (0.64) DRD4ACHEMCHR1KCNH2KDM4E
SCHEMBL9852060 0.88 ACHE (0.60) DRD4ACHEUTS2RMCHR1KCNH2
SCHEMBL9727117 0.88 DRD4 (0.67) DRD4ACHEUTS2RMCHR1KCNH2

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