SCHEMBL11273685

SCHEMBL11273685

COc1cc2c(cc1OCCCN1CCN(c3ccccc3Cl)CC1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
HTR7 P34969 4/20 0.53
DRD2 P14416 2/20 0.53
HTR1A P08908 1/20 0.53
ADRA1A P35348 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
ADORA2B P29275 1/20 0.51
HTR4 Q13639 1/20 0.51

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
SCHEMBL11297779 0.86 DRD2 (0.55) HTR2ADRD2HTR1AADRA1ASLC6A4
SCHEMBL11280762 0.85 DRD3 (0.56) HTR2ADRD2HTR1ADRD3HTR4
SCHEMBL11283459 0.83 KCNH2 (0.60) LMNA
SCHEMBL11267243 0.82 DRD2 (0.62) HTR2AHTR7DRD2HTR1AADRA1A
SCHEMBL11275076 0.81 DRD2 (0.55) HTR2ADRD2HTR1AADRA1ASLC6A4
SCHEMBL11273380 0.81 FAAH (0.56) HTR2AHTR7DRD2HTR1ADRD3
SCHEMBL8810414 0.80 HTR2A (0.51) HTR2ADRD2HTR1AADRA1A
SCHEMBL11282244 0.80 DRD2 (0.53) HTR2AHTR7DRD2HTR1ADRD4
SCHEMBL11274506 0.79 SLC6A2 (0.72) DRD2ADRA1ASLC6A2SLC6A4DRD4
SCHEMBL11266439 0.79 DRD2 (0.67) HTR2AHTR7DRD2HTR1AADRA1A

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