SCHEMBL31151978

SCHEMBL31151978

COc1cc2c(cc1O)NC[C@@H]1C[C@@H](OC)CN1C2=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
ALPL P05186 1/20 0.36
EGFR P00533 1/20 0.36
HTR2B P41595 5/20 0.35
KMT2A Q03164 4/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
GSK3B P49841 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CDC7 O00311 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 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
SCHEMBL31151970 1.00 ACHE (0.37) ACHEALPLEGFRHTR2BKMT2A
SCHEMBL31151942 1.00 ACHE (0.37) ACHEALPLEGFRHTR2BKMT2A
SCHEMBL11088844 0.87 ACHE (0.38) ACHEALPLEGFRHTR2BKMT2A
SCHEMBL3893507 0.87 ACHE (0.38) ACHEALPLEGFRHTR2BKMT2A
SCHEMBL31151895 0.86 ACHE (0.37) ACHEALPLEGFRHTR2BKMT2A
SCHEMBL31151905 0.86 ACHE (0.37) ACHEALPLEGFRHTR2BKMT2A
SCHEMBL31151995 0.86 ALPL (0.33) ACHEALPLEGFRHTR2BKMT2A
SCHEMBL31151912 0.86 ALPL (0.33) ACHEALPLEGFRHTR2BKMT2A
SCHEMBL31151888 0.84 ACHE (0.35) ACHEEGFRHTR2BHTR2AHTR2C
SCHEMBL31151940 0.84 ACHE (0.35) ACHEEGFRHTR2BHTR2AHTR2C

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
WO-2024235121-A1 FUSED RING COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed