SCHEMBL9727140

SCHEMBL9727140

CCCOc1ccc(CN2CCC(NC(=O)c3cc4ccccc4o3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.73
HTR1A P08908 1/20 0.62
HTR2B P41595 1/20 0.62
ACHE P22303 2/20 0.56
MAOB P27338 1/20 0.56
DRD4 P21917 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MCHR1 Q99705 3/20 0.54
KCNH2 Q12809 2/20 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
SCHEMBL9727091 0.89 DRD4 (0.70) UTS2RHTR1AHTR2BACHEMAOB
SCHEMBL9727131 0.85 MAOB (0.74) UTS2RACHEMAOBDRD4RAB9A
SCHEMBL9727117 0.84 DRD4 (0.67) UTS2RACHEMAOBDRD4LMNA
SCHEMBL9727166 0.84 ACHE (0.66) UTS2RACHEMAOBDRD4RAB9A
SCHEMBL7132070 0.83 LTA4H (0.69) UTS2RRAB9AHPGD
SCHEMBL9852059 0.83 UTS2R (0.64) UTS2RACHEMAOBDRD4RAB9A
SCHEMBL9871439 0.82 UTS2R (0.69) UTS2RDRD4MCHR1
SCHEMBL9852055 0.82 MCHR1 (0.66) UTS2RACHEMAOBDRD4RAB9A
SCHEMBL16927793 0.81 MAOB (0.63) UTS2RACHEMAOBDRD4ALDH1A1
SCHEMBL9852062 0.81 DRD4 (0.71) UTS2RHTR1AHTR2BACHEMAOB

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