SCHEMBL9051256

SCHEMBL9051256

O=C(CCCN1CCC(O)(c2ccccc2Br)CC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 13/20 0.71
▸ DRD3 P35462 3/20 0.56
▸ ADRA1A P35348 2/20 0.56
▸ NR1I2 O75469 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ ADRA2B P18089 1/20 0.56
▸ ADRA2C P18825 1/20 0.56
▸ CHRM3 P20309 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ HRH1 P35367 1/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ HTR2B P41595 1/20 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
SCHEMBL9053171 0.91 DRD2 (0.77) DRD2DRD3ADRA1ANR1I2CYP1A2
SCHEMBL9052631 0.85 DRD2 (0.83) DRD2DRD3ADRA1ACYP1A2CYP3A4
SCHEMBL9051795 0.85 DRD2 (0.71) DRD2DRD3ADRA1ANR1I2CYP1A2
SCHEMBL9055902 0.85 DRD2 (0.71) DRD2DRD3ADRA1ADRD4
SCHEMBL9055748 0.84 DRD2 (0.70) DRD2DRD3ADRA1ANR1I2CYP1A2
SCHEMBL9055183 0.84 DRD2 (0.70) DRD2DRD3ADRA1ADRD4
SCHEMBL8986029 0.83 DRD2 (1.00) DRD2DRD3ADRA1ANR1I2CYP1A2
SCHEMBL9053115 0.83 DRD2 (0.83) DRD2DRD3ADRA1ANR1I2CYP1A2
SCHEMBL9052139 0.82 DRD2 (0.67) DRD2DRD3ADRA1ACYP3A4CYP2D6
SCHEMBL9053004 0.82 DRD2 (0.67) DRD2DRD3HTR1ADRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 — — WO disclosed
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