SCHEMBL7991840

SCHEMBL7991840

Fc1ccc(N2CCN(CCc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.82
DRD3 P35462 8/20 0.82
HTR1A P08908 8/20 0.82
HTR2A P28223 7/20 0.82
SIGMAR1 Q99720 5/20 0.82
TMEM97 Q5BJF2 4/20 0.82
DRD1 P21728 3/20 0.82
DRD5 P21918 3/20 0.82
MAPT P10636 1/20 0.75
HRH1 P35367 4/20 0.74
HTR2C P28335 3/20 0.74
ADRA1D P25100 2/20 0.63
ADRA1A P35348 2/20 0.63
ADRA1B P35368 2/20 0.63
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
DRD4 P21917 2/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL23861608 0.90 DRD2 (1.00) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL6031666 0.86 MAPT (1.00) DRD2DRD3HTR1AHTR2ASIGMAR1
Bromide SCHEMBL6030792 0.84 MAPT (0.97) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL8544265 0.84 HTR1A (0.78) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL7977889 0.84 HTR1A (0.78) DRD2DRD3HTR1AHTR2ASIGMAR1
Hydrochloric Acid SCHEMBL9515562 0.84 MAPT (0.65) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL7991490 0.81 SIGMAR1 (0.69) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL2767261 0.81 SIGMAR1 (0.56) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL10900735 0.80 ADRA1D (0.59) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL10902081 0.80 SIGMAR1 (0.65) DRD2DRD3HTR1AHTR2ASIGMAR1

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-6313297-B1 CATALYTIC ALKYLATION; BY-PRODUCT INHIBITION AVENTIS RESEARCH & TECHNOLOGIES (DE) 2001-11-06 US disclosed