SCHEMBL11752117

SCHEMBL11752117

O=C(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 1.00
ADRA1A P35348 4/20 0.93
HTR1A P08908 3/20 0.93
ADRA2A P08913 3/20 0.93
ADRA2B P18089 3/20 0.93
ADRA2C P18825 3/20 0.93
HTR2A P28223 3/20 0.93
HRH1 P35367 3/20 0.93
DRD3 P35462 3/20 0.93
DRD4 P21917 2/20 0.93
HTR2C P28335 2/20 0.93
ADRA1B P35368 2/20 0.93
CYP1A2 P05177 2/20 0.93
CYP3A4 P08684 2/20 0.93
CYP2D6 P10635 2/20 0.93
CHRM1 P11229 2/20 0.93
CHRM3 P20309 2/20 0.93
SLC6A2 P23975 2/20 0.93
SLC6A4 P31645 2/20 0.93
OPRM1 P35372 2/20 0.93

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
Haloperidol SCHEMBL5070670 0.97 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL20254453 0.97 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
Haloperidol SCHEMBL8264 0.97 DRD2 (1.00) DRD2ADRA1AHTR1AADRA2AADRA2B
Haloperidol SCHEMBL15545886 0.95 DRD2 (0.98) DRD2ADRA1AHTR1AADRA2AADRA2B
Haloperidol SCHEMBL317367 0.95 DRD2 (0.98) DRD2ADRA1AHTR1AADRA2AADRA2B
Haloperidol SCHEMBL28699132 0.94 DRD2 (0.96) DRD2ADRA1AHTR1AADRA2AADRA2B
Haloperidol SCHEMBL8741248 0.93 DRD2 (0.94) DRD2ADRA1AHTR1AADRA2AADRA2B
Haloperidol SCHEMBL20644145 0.92 DRD2 (0.92) DRD2ADRA1AHTR1AADRA2AADRA2B
Haloperidol SCHEMBL9507217 0.92 DRD2 (0.92) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL9051774 0.92 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
US-4065565-A Acylhydrazones and anti-psychotic compositions thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-12-27 US disclosed