SCHEMBL11299358

SCHEMBL11299358

FC(F)(F)c1cccc(N2CCN(CCCCOc3cc4c(cc3Cl)CCC4)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.59
DRD2 P14416 3/20 0.55
SIGMAR1 Q99720 2/20 0.54
ABCB1 P08183 2/20 0.54
DRD3 P35462 2/20 0.52
ADRA1A P35348 1/20 0.52
DRD1 P21728 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
SCHEMBL11306526 0.87 HTR1A (0.48) HTR7DRD2SIGMAR1ABCB1DRD3
SCHEMBL11300075 0.87 KCNH2 (0.62) HTR7DRD2SIGMAR1ABCB1ADRA1A
SCHEMBL11284128 0.86 HTR7 (0.59) HTR7DRD2SIGMAR1ABCB1DRD3
SCHEMBL11273088 0.86 SLC6A4 (0.52) HTR7DRD2SIGMAR1DRD3ADRA1A
SCHEMBL11276751 0.85 HTR7 (0.58) HTR7DRD2SIGMAR1ABCB1DRD3
SCHEMBL11280944 0.85 HTR7 (0.60) HTR7DRD2SIGMAR1ABCB1DRD3
SCHEMBL11285131 0.84 DRD2 (0.69) HTR7DRD2SIGMAR1
SCHEMBL11275227 0.83 KCNH2 (0.60) HTR7DRD2SIGMAR1ABCB1DRD3
SCHEMBL11270104 0.82 HTR1A (0.56) HTR7DRD2SIGMAR1DRD3ADRA1A
SCHEMBL11276314 0.82 HTR7 (0.59) HTR7DRD2SIGMAR1ABCB1DRD3

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
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
EP-0021368-A1 Piperazinylalkoxyindanes and acid addition salts thereof MITSUBISHI KASEI CORPORATION (JP) 1981-01-07 EP disclosed