SCHEMBL11525941

SCHEMBL11525941

Cc1cccc(N2CCN(c3cccc(Cl)c3)C2C(Cl)(Cl)Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
MAPT P10636 5/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1012216 0.92 MAPT (0.49) MAPTTSHRNPSR1GFERL3MBTL1
SCHEMBL395284 0.91 HTR2A (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11529526 0.90 HTR2A (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11524094 0.85 HTR2A (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11525866 0.78 CHRM2 (0.37) MAPTTSHRNPSR1
SCHEMBL11528889 0.77 MAPT (0.39) MAPTTSHRNPSR1POLBL3MBTL1
SCHEMBL11527050 0.76 MAPT (0.40) MAPTNPSR1TP53POLBL3MBTL1
SCHEMBL1012161 0.76 NPSR1 (0.34) MAPTTSHRNPSR1POLB
SCHEMBL1012948 0.73 ADRB1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11530804 0.73 MAPT (0.46) MAPTTSHRNPSR1POLBL3MBTL1

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-4161528-A INSECTICIDES; MITICIDES CELAMERCK GMBH & CO. KG. (DE) 1979-07-17 US disclosed