SCHEMBL11276751

SCHEMBL11276751

Cc1cc2c(cc1OCCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.58
ABCB1 P08183 2/20 0.55
HTR2A P28223 1/20 0.55
DRD2 P14416 2/20 0.54
DRD1 P21728 1/20 0.53
DRD3 P35462 1/20 0.53
SIGMAR1 Q99720 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
SCHEMBL11284128 0.89 HTR7 (0.59) HTR7ABCB1HTR2ADRD2DRD1
SCHEMBL11276314 0.87 HTR7 (0.59) HTR7ABCB1HTR2ADRD2DRD1
SCHEMBL11299358 0.85 HTR7 (0.59) HTR7ABCB1DRD2DRD1DRD3
SCHEMBL11266553 0.85 HTR1A (0.62) HTR7HTR2ADRD2DRD3SIGMAR1
SCHEMBL11814714 0.85 HTR7 (0.57) HTR7ABCB1HTR2ADRD2DRD1
SCHEMBL11280944 0.84 HTR7 (0.60) HTR7ABCB1DRD2DRD1DRD3
SCHEMBL11262793 0.84 RECQL (0.66) HTR7HTR2ADRD2SIGMAR1
SCHEMBL11273822 0.81 DRD2 (0.53) HTR7ABCB1HTR2ADRD2DRD1
SCHEMBL11285131 0.81 DRD2 (0.69) HTR7HTR2ADRD2SIGMAR1
SCHEMBL11269670 0.81 HTR2A (0.55) HTR7HTR2ADRD2DRD3

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