SCHEMBL10478243

SCHEMBL10478243

Cc1noc(C2(c3ccccc3)CCNCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.54
HTR2A P28223 1/20 0.47
SLC6A4 P31645 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
AKT2 P31751 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
DRD2 P14416 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TACR1 P25103 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
COMT P21964 1/20 0.33
KCNH2 Q12809 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL10478397 0.81 OPRM1 (0.51) OPRM1SLC6A4DRD2SIGMAR1CYP1A2
SCHEMBL10620938 0.81 OPRM1 (0.53) OPRM1HTR2AAKT2MEN1KMT2A
Hydrochloric Acid SCHEMBL10478268 0.80 OPRM1 (0.50) OPRM1SLC6A4DRD2SIGMAR1CYP1A2
Hydrochloric Acid SCHEMBL10478033 0.80 OPRM1 (0.51) OPRM1HTR2AAKT2MEN1KMT2A
SCHEMBL10478400 0.79 OPRM1 (0.50) OPRM1HTR2ASLC6A4AKT2MEN1
SCHEMBL738518 0.73 OPRM1 (1.00) OPRM1HTR2ASLC6A4SLC6A2AKT2
Hydrochloric Acid SCHEMBL20292111 0.71 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL1765284 0.71 OPRM1 (0.95) OPRM1HTR2ASLC6A4SLC6A2AKT2
Oxalic Acid SCHEMBL10478290 0.71 OPRM1 (0.40) OPRM1HTR2AAKT2PTGDR2KCNH2
SCHEMBL4631246 0.69 OPRM1 (0.56) OPRM1HTR2ASLC6A4SLC6A2AKT2

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-4845095-A ANALGESICS, NEUROLEPTICS A/S FERROSAN (DK) 1989-07-04 US disclosed
EP-0285032-A1 4-Phenylpiperidine compounds and their preparation and use A/S FERROSAN (DK) 1988-10-05 EP disclosed