SCHEMBL11301741

SCHEMBL11301741

OC1(c2ccc(Cl)cc2)CCN(CCCNc2ccc(F)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.70
CCR1 P32246 4/20 0.69
DRD3 P35462 6/20 0.69
HTR1A P08908 4/20 0.69
DRD1 P21728 4/20 0.69
DRD5 P21918 4/20 0.69
SLC6A2 P23975 4/20 0.69
HTR2A P28223 4/20 0.69
SLC6A4 P31645 4/20 0.69
HTR7 P34969 4/20 0.69
HRH1 P35367 4/20 0.69
HTR2B P41595 4/20 0.69
SIGMAR1 Q99720 4/20 0.66
SLC6A3 Q01959 2/20 0.66
LMNA P02545 1/20 0.66
MEN1 O00255 1/20 0.65
CACNA1F O60840 1/20 0.65
KCNK2 O95069 1/20 0.65
ABCB11 O95342 1/20 0.65
CYP1A2 P05177 1/20 0.65

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
SCHEMBL11604166 0.84 DRD2 (0.71) DRD2CCR1DRD3HTR1ADRD1
SCHEMBL4060617 0.81 DRD2 (1.00) DRD2CCR1DRD3HTR1ADRD1
SCHEMBL8010420 0.81 DRD2 (0.72) DRD2CCR1DRD3HTR1ADRD1
SCHEMBL11844101 0.81 DRD2 (1.00) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL904905 0.80 DRD2 (0.83) DRD2CCR1DRD3HTR1ADRD1
SCHEMBL11184929 0.80 DRD2 (0.70) DRD2CCR1DRD3HTR1ADRD1
SCHEMBL11864402 0.80 DRD2 (1.00) DRD2CCR1DRD3HTR1ADRD1
Hydroxyhaloperidol SCHEMBL4540106 0.80 DRD2 (1.00) DRD2CCR1DRD3HTR1ADRD1
SCHEMBL8986071 0.79 DRD2 (0.76) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL20254453 0.79 DRD2 (1.00) DRD2DRD3HTR1ADRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56053654-A None JP disclosed
JP-S5653654-A PREPARATION OF NOVEL ANILINE DERIVATIVE SUMITOMO CHEM CO LTD 1981-05-13 JP disclosed
US-4017624-A N-(ω-Amino)alkylaniline derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-04-12 US disclosed