SCHEMBL11266112

SCHEMBL11266112

COc1cc2c(cc1OCCCN1CCN(c3ccc(F)cc3)CC1)CCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.55
MAOB P27338 1/20 0.54
KDM4E B2RXH2 1/20 0.54
DRD2 P14416 4/20 0.53
HTR1A P08908 3/20 0.53
HTR2A P28223 3/20 0.53
DRD3 P35462 3/20 0.53
DRD1 P21728 1/20 0.53
DRD5 P21918 1/20 0.53
HRH1 P35367 2/20 0.52
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL11273822 0.89 DRD2 (0.53) ABCB1DRD2HTR1AHTR2ADRD3
SCHEMBL11280762 0.88 DRD3 (0.56) DRD2HTR1AHTR2ADRD3HRH1
SCHEMBL11273882 0.88 DRD2 (0.55) ABCB1DRD2HTR1AHTR2ADRD3
SCHEMBL11271731 0.88 SLC6A4 (0.52) ABCB1DRD2HTR1AHTR2ADRD3
SCHEMBL11263300 0.86 DRD2 (0.53) ABCB1DRD2HTR1AHTR2ADRD3
SCHEMBL11274363 0.86 DRD2 (0.59) ABCB1DRD2HTR1AHTR2ADRD3
SCHEMBL11282244 0.85 DRD2 (0.53) KDM4EDRD2HTR1AHTR2ADRD3
SCHEMBL11277199 0.85 SLC6A2 (0.56) ABCB1KDM4EDRD2HTR1AHTR2A
SCHEMBL11273991 0.82 DRD2 (0.48) ABCB1KDM4EDRD2HTR1AHTR2A
SCHEMBL11269168 0.81 ADRA1D (0.68) DRD2HTR1AHTR2ADRD3DRD1

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