SCHEMBL1850432

SCHEMBL1850432

COC[C@](O)(CCNCCc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
OPRM1 P35372 2/20 0.43
DRD3 P35462 2/20 0.43
FDPS P14324 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MGLL Q99685 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HTR2A P28223 3/20 0.37
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9954703 0.84 DRD2 (0.44) DRD2DRD4OPRM1DRD3FDPS
SCHEMBL3264659 0.77 LMNA (0.40) OPRM1DRD3MEN1KMT2AATM
SCHEMBL118040 0.77 LMNA (0.40) OPRM1DRD3MEN1KMT2AATM
SCHEMBL1027242 0.73 PLAAT3 (0.40) DRD2DRD4OPRM1DRD3TAAR1
SCHEMBL1692344 0.72 KCNN4 (0.43) TAAR1SMN1; SMN2
SCHEMBL29602871 0.70 TAAR1 (0.55) DRD2DRD4DRD3TAAR1MEN1
SCHEMBL958756 0.69 DRD2 (0.54) DRD2DRD4OPRM1DRD3FDPS
SCHEMBL5704134 0.69 LMNA (0.42) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL5640773 0.69 CHRM3 (0.44) OPRM1TAAR1MEN1KMT2AHTR2A
SCHEMBL27526941 0.68 TAAR1 (0.57) GPBAR1TAAR1MEN1KMT2AHTR2A

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-2324017-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010010157-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed