SCHEMBL11270622

SCHEMBL11270622

Fc1cc2c(cc1OCCCN1CCN(c3ccccc3)CC1)CCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.57
HTR1A P08908 5/20 0.57
HRH1 P35367 3/20 0.57
DRD2 P14416 3/20 0.57
HTR2A P28223 3/20 0.57
TMEM97 Q5BJF2 3/20 0.57
SIGMAR1 Q99720 3/20 0.57
HRH3 Q9Y5N1 2/20 0.55
TSHR P16473 2/20 0.50
CYP2D6 P10635 2/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KCNH2 Q12809 1/20 0.50
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 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
Hydrochloric Acid SCHEMBL11284442 0.99 HTR1A (0.56) DRD3HTR1AHRH1DRD2HTR2A
SCHEMBL11279327 0.96 HTR1A (0.53) DRD3HTR1AHRH1DRD2HTR2A
SCHEMBL11273882 0.91 DRD2 (0.55) DRD3HTR1AHRH1DRD2HTR2A
SCHEMBL11264278 0.90 HTR1A (0.49) DRD3HTR1AHRH1DRD2HTR2A
SCHEMBL11290067 0.88 HTR1A (0.59) DRD3HTR1AHRH1DRD2HTR2A
SCHEMBL11270171 0.88 KCNH2 (0.57) HTR1ADRD2HTR2ASIGMAR1LMNA
SCHEMBL11277199 0.87 SLC6A2 (0.56) DRD3HTR1AHRH1DRD2HTR2A
SCHEMBL11284128 0.86 HTR7 (0.59) DRD3DRD2HTR2ASIGMAR1
SCHEMBL11292019 0.86 TSHR (0.59) DRD3HTR1AHRH1DRD2HTR2A
SCHEMBL11266553 0.86 HTR1A (0.62) DRD3HTR1AHRH1DRD2HTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56127368-A None JP disclosed
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
JP-S56127368-A PIPERAZINYLALKOXYINDANES AND THEIR ACID ADDITION SALTS MITSUBISHI CHEM IND LTD 1981-10-06 JP disclosed
EP-0021368-A1 Piperazinylalkoxyindanes and acid addition salts thereof MITSUBISHI KASEI CORPORATION (JP) 1981-01-07 EP disclosed