SCHEMBL11268707

SCHEMBL11268707

FC(F)(F)c1ccc(N2CCN(CCCOc3ccc4c(c3)CCC4)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.65
SLC6A2 P23975 1/20 0.65
HRH3 Q9Y5N1 7/20 0.59
HRH1 P35367 2/20 0.59
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
DRD2 P14416 3/20 0.53
DRD3 P35462 2/20 0.53
DRD1 P21728 1/20 0.53
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNH2 Q12809 1/20 0.50
HTR7 P34969 1/20 0.49

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
SCHEMBL11278314 0.97 SLC6A4 (0.70) SLC6A4SLC6A2HRH3HRH1ADRA1D
SCHEMBL11262793 0.88 RECQL (0.66) HRH3HRH1DRD2RECQLSMN1; SMN2
SCHEMBL11269168 0.87 ADRA1D (0.68) SLC6A4SLC6A2HRH3HRH1ADRA1D
SCHEMBL11285131 0.85 DRD2 (0.69) SLC6A4SLC6A2HRH3HRH1DRD2
SCHEMBL11276891 0.85 HTR7 (0.66) HRH3HRH1ADRA1DADRA1AADRA1B
SCHEMBL11265804 0.85 ADRA1A (0.68) HRH3HRH1ADRA1DADRA1AADRA1B
SCHEMBL11282931 0.85 HRH3 (0.67) SLC6A4HRH3HRH1
SCHEMBL11219235 0.85 HRH1 (0.80) HRH3HRH1ADRA1ADRD2DRD3
SCHEMBL11271331 0.84 HRH3 (0.61) HRH3HRH1ADRA1DADRA1AADRA1B
SCHEMBL11277312 0.84 SLC6A2 (0.68) SLC6A4SLC6A2HRH3HRH1ADRA1D

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