SCHEMBL9053091

SCHEMBL9053091

CCc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.84
ADRA1A P35348 4/20 0.76
HTR1A P08908 3/20 0.76
ADRA2A P08913 3/20 0.76
ADRA2B P18089 3/20 0.76
ADRA2C P18825 3/20 0.76
HTR2A P28223 3/20 0.76
HRH1 P35367 3/20 0.76
DRD3 P35462 3/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2D6 P10635 2/20 0.76
CHRM1 P11229 2/20 0.76
CHRM3 P20309 2/20 0.76
SLC6A2 P23975 2/20 0.76
SLC6A4 P31645 2/20 0.76
OPRM1 P35372 2/20 0.76
HTR2B P41595 2/20 0.76
SLC6A3 Q01959 2/20 0.76
KCNH2 Q12809 2/20 0.76

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
SCHEMBL9054984 0.92 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL20652864 0.90 DRD2 (0.79) DRD2ADRA1AHTR1AADRA2AADRA2B
Moperone SCHEMBL34340 0.89 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL9052699 0.89 DRD2 (0.80) DRD2ADRA1AHTR1AADRA2AADRA2B
Moperone SCHEMBL365007 0.88 DRD2 (0.98) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL9052989 0.87 DRD2 (0.74) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL20254453 0.86 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL20653047 0.86 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
Haloperidol SCHEMBL5070670 0.86 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
Bromperidol SCHEMBL43755 0.86 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B

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