SCHEMBL9053113

SCHEMBL9053113

CCCC(=O)c1ccc(N2CCC(O)(c3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.56
ADRA1A P35348 2/20 0.56
DRD3 P35462 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
SCHEMBL9050720 0.89 DRD2 (0.57) DRD2ADRA1ADRD3NR1I2CYP1A2
SCHEMBL9050732 0.88 DRD2 (0.61) DRD2ADRA1ADRD3CYP1A2CYP3A4
SCHEMBL9052696 0.88 DRD2 (0.46) DRD2ADRA1ADRD3NR1I2CYP1A2
SCHEMBL9052324 0.88 DRD2 (0.61) DRD2ADRA1ADRD3NR1I2CYP1A2
SCHEMBL8986025 0.88 DRD2 (0.56) DRD2ADRA1AHTR1AOPRM1OPRK1
SCHEMBL9053432 0.86 DRD2 (0.44) DRD2ADRA1ADRD3NR1I2CYP1A2
SCHEMBL9052266 0.86 MEN1 (0.58) CYP3A4HTR1AALDH1A1SMN1; SMN2
SCHEMBL9052744 0.85 DRD2 (0.59) DRD2ADRA1ADRD3NR1I2CYP1A2
SCHEMBL9052350 0.84 KMT2A (0.53) DRD2ADRA1AHTR1AMAPTALDH1A1
SCHEMBL9051252 0.81 HDAC1 (0.43) DRD2HTR1AMAPTGAAALDH1A1

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