SCHEMBL9727166

SCHEMBL9727166

O=C(NC1CCN(Cc2ccc(O)cc2)CC1)c1cc2ccccc2o1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.66
MAOB P27338 1/20 0.64
RAB9A P51151 2/20 0.63
BCHE P06276 1/20 0.62
UTS2R Q9UKP6 1/20 0.61
SIGMAR1 Q99720 1/20 0.58
NPC1 O15118 1/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MCHR1 Q99705 6/20 0.57
KCNH2 Q12809 3/20 0.56
DRD3 P35462 1/20 0.56
DRD4 P21917 3/20 0.55
SLC6A12 P48065 1/20 0.55
SLC6A13 Q9NSD5 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
SCHEMBL9727131 0.92 MAOB (0.74) ACHEMAOBRAB9AUTS2RMCHR1
SCHEMBL9727117 0.91 DRD4 (0.67) ACHEMAOBRAB9AUTS2RSIGMAR1
SCHEMBL16927793 0.88 MAOB (0.63) ACHEMAOBRAB9AUTS2RSIGMAR1
SCHEMBL650728 0.88 ACHE (0.76) ACHEMAOBSIGMAR1MCHR1KCNH2
SCHEMBL9727091 0.88 DRD4 (0.70) ACHEMAOBRAB9AUTS2RSIGMAR1
SCHEMBL9852059 0.88 UTS2R (0.64) ACHEMAOBRAB9AUTS2RNPC1
SCHEMBL9852055 0.87 MCHR1 (0.66) ACHEMAOBRAB9AUTS2RNPC1
SCHEMBL9727243 0.87 DRD4 (0.69) ACHEMAOBRAB9ABCHEUTS2R
SCHEMBL9482251 0.85 MAOB (0.57) ACHEMAOBRAB9AUTS2RNPC1
SCHEMBL9727140 0.84 UTS2R (0.73) ACHEMAOBRAB9AUTS2RMCHR1

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