SCHEMBL11280944

SCHEMBL11280944

FC(F)(F)c1cccc(N2CCN(CCCCOc3cccc4c3CCC4)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.60
ABCB1 P08183 2/20 0.56
DRD2 P14416 3/20 0.56
DRD3 P35462 4/20 0.55
DRD1 P21728 2/20 0.55
SIGMAR1 Q99720 1/20 0.55
DRD5 P21918 2/20 0.53

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
SCHEMBL11276314 0.97 HTR7 (0.59) HTR7ABCB1DRD2DRD3DRD1
SCHEMBL11814714 0.95 HTR7 (0.57) HTR7ABCB1DRD2DRD3DRD1
SCHEMBL11262308 0.90 SLC6A2 (0.56) HTR7ABCB1DRD2DRD3
SCHEMBL11279021 0.87 S1PR5 (0.55) HTR7ABCB1DRD2DRD3DRD1
SCHEMBL11299358 0.85 HTR7 (0.59) HTR7ABCB1DRD2DRD3DRD1
SCHEMBL11270870 0.85 HTR1A (0.59) DRD2DRD3SIGMAR1
SCHEMBL9121145 0.85 HTR7 (0.54) HTR7ABCB1DRD2DRD3DRD1
SCHEMBL11275580 0.85 KCNH2 (0.60) HTR7ABCB1DRD2DRD3SIGMAR1
SCHEMBL11276751 0.84 HTR7 (0.58) HTR7ABCB1DRD2DRD3DRD1
SCHEMBL11275248 0.83 HTR1A (0.50) HTR7ABCB1DRD2DRD3DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339580-A TRANQUILIZERS, SEDATIVES MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1982-07-13 US disclosed
EP-0021368-B1 PIPERAZINYLALKOXYINDANES AND ACID ADDITION SALTS THEREOF MITSUBISHI KASEI CORPORATION (JP) 1982-05-19 EP disclosed