SCHEMBL25478451

SCHEMBL25478451

CC(C)c1ccccc1C1COCC(C)N1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.35
G6PD P11413 1/20 0.35
CCR6 P51684 1/20 0.35
OPRM1 P35372 4/20 0.33
OPRK1 P41145 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALOX15 P16050 1/20 0.31
CNR2 P34972 1/20 0.30
HTR7 P34969 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
GRM4 Q14833 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL25478281 0.85 NSD2 (0.34) NSD2G6PDCCR6OPRM1OPRK1
SCHEMBL25478218 0.83 OPRM1 (0.32) OPRM1OPRK1GABRA1GABRB2ALOX15
SCHEMBL24005469 0.79 OPRM1 (0.36) NSD2G6PDCCR6OPRM1OPRK1
SCHEMBL24005468 0.77 ACHE (0.38) OPRM1OPRK1GABRA1GABRB2CNR2
SCHEMBL24005867 0.76 NR3C2 (0.32) OPRM1OPRK1GABRA1GABRB2SLC6A2
SCHEMBL25478404 0.75 NR3C2 (0.32)
SCHEMBL31610743 0.74 GABRA1 (0.39) GABRA1GABRB2SLC6A2
SCHEMBL17297749 0.74 GABRA1 (0.39) GABRA1GABRB2SLC6A2
SCHEMBL25478279 0.74 ADRB2 (0.36) GABRA1GABRB2
SCHEMBL25478605 0.71 HTR2A (0.40) OPRM1OPRK1HTR7SLC6A2SLC6A4

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-2023088167-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-25 WO disclosed