SCHEMBL2463684

SCHEMBL2463684

CC(C)(C)N1CC(O)(c2cc(F)cc(Cl)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
SSTR5 P35346 1/20 0.32
ACLY P53396 1/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
MC3R P41968 1/20 0.32
S1PR2 O95136 1/20 0.32
METAP2 P50579 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTR1A P08908 1/20 0.30
DRD1 P21728 1/20 0.30
DRD5 P21918 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR7 P34969 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
CCR1 P32246 1/20 0.30

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
SCHEMBL2461211 0.78 DRD2 (0.33) DRD2SSTR5MC4RMETAP2
SCHEMBL1331319 0.78 DRD2 (0.38) DRD2SSTR5METAP2HTR1ADRD1
SCHEMBL1331572 0.76 STS (0.39)
SCHEMBL23748779 0.76 CCR1 (0.42) DRD2ALDH1A1SLC6A2SLC6A4DRD3
SCHEMBL2455515 0.76 DRD2 (0.39) DRD2SSTR5METAP2HTR1ADRD1
SCHEMBL2534239 0.75 DRD2 (0.38) DRD2ACLYS1PR2METAP2DRD3
SCHEMBL2461709 0.75 HSD17B10 (0.37) DRD2SSTR5METAP2ALDH1A1HTR1A
SCHEMBL3114760 0.74 DRD2 (0.43) DRD2SSTR5METAP2HTR1ADRD1
SCHEMBL2459740 0.74 DRD2 (0.33) DRD2SSTR5S1PR2METAP2
SCHEMBL2457260 0.74 DRD2 (0.43) DRD2HTR1ADRD1DRD5SLC6A2

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
EP-2367786-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
WO-2010058020-A1 NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 WO disclosed