SCHEMBL29090570

SCHEMBL29090570

c1ccc(C2(c3ccccc3)COCN2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
OPRM1 P35372 2/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR2A P28223 1/20 0.32
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CYP2B6 P20813 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL28092237 0.79 OPRM1 (0.36) NPY5ROPRM1GRIN1GRIN2ASLC6A2
SCHEMBL1637914 0.71 HTR2A (0.44) NPY5ROPRM1HTR2AOPRK1OPRL1
SCHEMBL4780555 0.67 OPRM1 (0.50) NPY5ROPRM1HTR2AOPRK1OPRL1
SCHEMBL6967987 0.67 HDAC3 (0.39) NPY5RHTR2AMEN1KMT2AKCNH2
SCHEMBL12488444 0.64 OPRM1 (0.46) OPRM1GRIN1GRIN2AHTR2AOPRK1
Methyl Alcohol SCHEMBL8520431 0.62 OPRM1 (0.45) NPY5ROPRM1HTR2AOPRK1OPRL1
SCHEMBL5198608 0.62 HTR2A (0.42) NPY5ROPRM1HTR2AOPRK1OPRL1
SCHEMBL6071368 0.62 OPRM1 (0.45) NPY5ROPRM1GRIN1GRIN2AHTR2A
SCHEMBL10960161 0.61 CHRNB2 (0.37) OPRM1SLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL21937925 0.61 CYP2D6 (0.37) OPRM1GRIN1GRIN2ASLC6A2SLC6A3

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-116891401-A Initiator and preparation method thereof, composition for preparing EVA copolymer, EVA copolymer and EVOH resin 中国科学院长春应用化学研究所 2023-10-17 CN disclosed