SCHEMBL29046166

SCHEMBL29046166

CNc1ccc(CC2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
GRIN2B Q13224 6/20 0.46
ADRA2A P08913 5/20 0.46
HTR2A P28223 5/20 0.46
ADRA1A P35348 5/20 0.46
GRIN1 Q05586 4/20 0.46
HTR2B P41595 4/20 0.46
SIGMAR1 Q99720 3/20 0.46
GRIN2D O15399 2/20 0.46
HTR1A P08908 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2C Q14957 2/20 0.46
LMNA P02545 1/20 0.46
ADRB1 P08588 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL24359363 0.82 GRIN2B (0.62) GRIN2BADRA2AHTR2AADRA1AGRIN1
SCHEMBL24359569 0.82 PRMT3 (0.50) CARM1PRMT6GRIN2BADRA2AHTR2A
SCHEMBL24359362 0.81 DRD4 (0.54) GRIN2BGRIN1LMNAOPRK1MEN1
SCHEMBL26911633 0.79 MEN1 (0.49) GRIN2BADRA2AHTR2AADRA1AGRIN1
SCHEMBL8478524 0.77 L3MBTL1 (0.51) CARM1PRMT6ADRA2AHTR2AADRA1A
SCHEMBL7850831 0.76 HRH3 (0.57) CARM1PRMT6SLC6A2SLC6A4RAB9A
SCHEMBL17362153 0.75 CARM1 (0.41) CARM1PRMT6SLC6A2SLC6A4SLC6A3
SCHEMBL24359348 0.75 HRH3 (0.45) GRIN2BADRA2AHTR2AADRA1AGRIN1
SCHEMBL13597004 0.75 L3MBTL1 (0.56) ADRA2AHTR2AADRA1AHTR2BHTR1A
SCHEMBL9150658 0.74 CYP2D6 (0.59) GRIN2BADRA2AHTR2AADRA1AGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116529252-A Prodrugs for sustained release of therapeutic agents and uses thereof 重庆两江药物研发中心有限公司 2023-08-01 CN disclosed