SCHEMBL9727135

SCHEMBL9727135

O=C(NC1CCN(Cc2ccccc2)CC1)c1occ2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.67
MAOB P27338 2/20 0.62
SLC6A12 P48065 2/20 0.60
SLC6A13 Q9NSD5 1/20 0.60
SIGMAR1 Q99720 5/20 0.59
TMEM97 Q5BJF2 2/20 0.57
MCHR1 Q99705 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
L3MBTL1 Q9Y468 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
Dimethylamine SCHEMBL9852061 0.97 DRD4 (0.63) DRD4MAOBSLC6A12SLC6A13SIGMAR1
SCHEMBL9727173 0.92 SIGMAR1 (0.57) DRD4MAOBSLC6A12SLC6A13SIGMAR1
SCHEMBL9727123 0.92 DRD4 (0.69) DRD4MAOBSLC6A12SLC6A13SIGMAR1
SCHEMBL9727095 0.90 DRD4 (0.72) DRD4MAOBSIGMAR1MCHR1
SCHEMBL9727255 0.88 DRD4 (0.66) DRD4MAOBSIGMAR1TMEM97
SCHEMBL9852073 0.88 DRD4 (0.54) DRD4MAOBSIGMAR1MCHR1
SCHEMBL9852082 0.86 DRD4 (0.73) DRD4MAOBSIGMAR1MCHR1
SCHEMBL9483648 0.86 DRD4 (0.52) DRD4MAOBSLC6A12SLC6A13MCHR1
SCHEMBL9727149 0.85 DRD4 (0.58) DRD4MAOBSIGMAR1MCHR1
SCHEMBL9852142 0.82 CCR1 (0.54) DRD4MAOBCYP3A4

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