SCHEMBL30538022

SCHEMBL30538022

O=c1oc2ccc(Br)cc2n1CC1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
CBX7 O95931 1/20 0.46
CDYL2 Q8N8U2 1/20 0.46
CDYL Q9Y232 1/20 0.46
CDY1; CDY1B Q9Y6F8 1/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.42

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
SCHEMBL16932322 1.00 PIK3CD (0.46) PIK3CDCBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL30214700 0.92 CBX7 (0.49) CBX7CDYL2CDYLCDY1; CDY1BSIGMAR1
SCHEMBL16932267 0.92 CBX7 (0.49) CBX7CDYL2CDYLCDY1; CDY1BSIGMAR1
SCHEMBL24973917 0.84 MIF (0.54) PIK3CDNPC1
SCHEMBL28500980 0.82 NPC1 (0.58) CBX7CDYLCDY1; CDY1BSIGMAR1NPC1
SCHEMBL30615684 0.82 NPC1 (0.58) CBX7CDYLCDY1; CDY1BSIGMAR1NPC1
SCHEMBL30357417 0.82 USP2 (0.57) CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL20172681 0.82 MIF (0.52) PIK3CDNOS3NOS1NOS2
SCHEMBL16939099 0.81 PIK3CD (0.46) PIK3CDNOS3NOS1NOS2CNR2
SCHEMBL25613309 0.81 PIK3CD (0.46) PIK3CDNOS3NOS1NOS2CNR2

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-110483492-B Dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2023-07-21 CN disclosed