SCHEMBL31094010

SCHEMBL31094010

O=c1ccc2ccc(OCCCCN3CCNCC3)cc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.62
DRD4 P21917 7/20 0.58
DRD3 P35462 7/20 0.58
HTR1A P08908 2/20 0.58
DRD1 P21728 2/20 0.58
DRD5 P21918 2/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
SLC6A2 P23975 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR1D P28221 1/20 0.58
HTR1B P28222 1/20 0.58
HTR1E P28566 1/20 0.58
SLC6A4 P31645 1/20 0.58
GPR183 P32249 1/20 0.58

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
SCHEMBL18496155 1.00 DRD2 (0.62) DRD2DRD4DRD3HTR1ADRD1
Hydrochloric Acid SCHEMBL18496124 0.99 DRD2 (0.61) DRD2DRD4DRD3HTR1ADRD1
Hydrochloric Acid SCHEMBL29922934 0.99 DRD2 (0.61) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL20029449 0.92 DRD2 (0.71) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL30193630 0.90 DRD2 (0.66) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL30193881 0.88 DRD2 (0.66) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL30193634 0.88 HRH3 (0.64) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL30193620 0.86 DRD2 (0.63) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL18507816 0.86 DRD2 (0.64) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL30193406 0.85 DRD2 (0.64) DRD2DRD4DRD3HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241521-A Eperide Synthesis method of azole 万特制药(海南)有限公司 2025-01-03 CN claimed
CN-119241521-A Eperide Synthesis method of azole 万特制药(海南)有限公司 2025-01-03 CN disclosed
CN-118580229-B Preparation method of bripiprazole 湖南一格制药有限公司 2024-12-27 CN disclosed
CN-118580229-A Preparation method of bripiprazole 湖南一格制药有限公司 2024-09-03 CN disclosed