SCHEMBL9727082

SCHEMBL9727082

COc1ccc(CN2CCC(NC(=O)c3cc4cccc(OC)c4o3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.64
MCHR1 Q99705 6/20 0.60
KCNH2 Q12809 1/20 0.60
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CHRNA7 P36544 1/20 0.58
ACHE P22303 2/20 0.57
CCR3 P51677 2/20 0.57
SIGMAR1 Q99720 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL9727182 0.91 DRD4 (0.64) DRD4MCHR1KCNH2KDM4EALDH1A1
SCHEMBL9727416 0.88 DRD4 (0.60) DRD4MCHR1KCNH2KDM4EALDH1A1
SCHEMBL9727091 0.85 DRD4 (0.70) DRD4MCHR1KCNH2KDM4EALDH1A1
SCHEMBL9852064 0.82 MCHR1 (0.66) DRD4MCHR1KCNH2KDM4EALDH1A1
SCHEMBL6837609 0.81 ADORA2A (0.69) KDM4EALDH1A1HPGDHSD17B10CHRNA7
SCHEMBL6839051 0.81 ADORA2A (0.72) KDM4EALDH1A1HPGDHSD17B10CHRNA7
SCHEMBL9727088 0.80 DRD4 (0.62) DRD4MCHR1KCNH2CCR3SIGMAR1
SCHEMBL9727231 0.80 MCHR1 (0.64) DRD4MCHR1KCNH2KDM4EALDH1A1
SCHEMBL9852062 0.78 DRD4 (0.71) DRD4MCHR1KCNH2KDM4EALDH1A1
SCHEMBL9852060 0.78 ACHE (0.60) DRD4MCHR1KCNH2KDM4EALDH1A1

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