SCHEMBL11272267

SCHEMBL11272267

Fc1ccccc1N1CCN(CCCOc2cccc3c2CCC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.50
DRD2 P14416 5/20 0.50
HTR1A P08908 3/20 0.50
HRH3 Q9Y5N1 4/20 0.49
HTR7 P34969 2/20 0.49
DRD3 P35462 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 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
SCHEMBL11273380 0.88 FAAH (0.56) HTR2ADRD2HTR1AHRH3HTR7
SCHEMBL11277272 0.87 HTR2A (0.67) HTR2ADRD2HTR1AHTR7DRD3
SCHEMBL11262385 0.86 HTR7 (0.51) HTR2ADRD2HTR1AHRH3HTR7
SCHEMBL11811329 0.85 HTR2A (0.58) HTR2ADRD2HTR1AHRH3HTR7
SCHEMBL11815257 0.85 FAAH (0.59) HTR2ADRD2HTR1AHRH3HTR7
SCHEMBL11808685 0.84 HTR2A (0.67) HTR2ADRD2HTR1AHTR7DRD3
Hydrochloric Acid SCHEMBL11821341 0.84 HTR2A (0.59) HTR2ADRD2HTR1AHRH3HTR7
Hydrochloric Acid SCHEMBL11813181 0.84 FAAH (0.58) HTR2ADRD2HTR1AHRH3HTR7
SCHEMBL11813702 0.84 HTR2A (0.50) HTR2ADRD2HTR1AHRH3HTR7
SCHEMBL11273977 0.84 HTR1A (0.56) HTR2ADRD2HTR1AHRH3HTR7

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 2 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