SCHEMBL9727117

SCHEMBL9727117

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.67
MCHR1 Q99705 5/20 0.66
MAOB P27338 1/20 0.64
RAB9A P51151 2/20 0.63
UTS2R Q9UKP6 1/20 0.61
ACHE P22303 2/20 0.60
MAPT P10636 2/20 0.59
TP53 P04637 2/20 0.59
LMNA P02545 1/20 0.59
SIGMAR1 Q99720 1/20 0.58
MAPK1 P28482 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SLC6A12 P48065 1/20 0.57
KCNH2 Q12809 2/20 0.56

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) DRD4MCHR1MAOBRAB9AUTS2R
SCHEMBL9727166 0.91 ACHE (0.66) DRD4MCHR1MAOBRAB9AUTS2R
SCHEMBL16927793 0.88 MAOB (0.63) DRD4MCHR1MAOBRAB9AUTS2R
SCHEMBL9727091 0.88 DRD4 (0.70) DRD4MCHR1MAOBRAB9AUTS2R
SCHEMBL9852059 0.88 UTS2R (0.64) DRD4MCHR1MAOBRAB9AUTS2R
SCHEMBL9852055 0.87 MCHR1 (0.66) DRD4MCHR1MAOBRAB9AUTS2R
SCHEMBL9727243 0.87 DRD4 (0.69) DRD4MCHR1MAOBRAB9AUTS2R
SCHEMBL9482251 0.85 MAOB (0.57) DRD4MCHR1MAOBRAB9AUTS2R
SCHEMBL9727140 0.84 UTS2R (0.73) DRD4MCHR1MAOBRAB9AUTS2R
SCHEMBL647657 0.84 ACHE (0.59) DRD4MCHR1MAOBUTS2RACHE

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