SCHEMBL11276314

SCHEMBL11276314

FC(F)(F)c1cccc(N2CCN(CCCOc3cccc4c3CCC4)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.59
DRD1 P21728 2/20 0.56
DRD3 P35462 2/20 0.56
ABCB1 P08183 2/20 0.56
SIGMAR1 Q99720 1/20 0.53
HTR2A P28223 1/20 0.53
DRD2 P14416 1/20 0.52

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
SCHEMBL11814714 0.98 HTR7 (0.57) HTR7DRD1DRD3ABCB1SIGMAR1
SCHEMBL11280944 0.97 HTR7 (0.60) HTR7DRD1DRD3ABCB1SIGMAR1
SCHEMBL11279021 0.90 S1PR5 (0.55) HTR7DRD1DRD3ABCB1SIGMAR1
SCHEMBL11276751 0.87 HTR7 (0.58) HTR7DRD1DRD3ABCB1SIGMAR1
SCHEMBL11262308 0.87 SLC6A2 (0.56) HTR7DRD3ABCB1HTR2ADRD2
SCHEMBL11275248 0.86 HTR1A (0.50) HTR7DRD1DRD3ABCB1SIGMAR1
SCHEMBL11284128 0.86 HTR7 (0.59) HTR7DRD1DRD3ABCB1SIGMAR1
SCHEMBL11279326 0.85 HTR1A (0.63) DRD3SIGMAR1HTR2ADRD2
SCHEMBL11276199 0.84 KCNH2 (0.58) HTR7DRD3ABCB1SIGMAR1HTR2A
SCHEMBL11276677 0.83 KCNH2 (0.61) HTR7DRD1DRD3ABCB1HTR2A

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