SCHEMBL31528092

SCHEMBL31528092

Cc1ccc2c(c1Br)CC(=O)N2CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
RXRA P19793 1/20 0.34
RORC P51449 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL31528083 0.82 GSK3B (0.41) ADORA3RORCMEN1MAPTALOX15
SCHEMBL31528147 0.81 CRHR1 (0.33) MEN1MAPTALOX15ALOX12HBB
SCHEMBL31528021 0.79 BMPR1B (0.35) MEN1MAPTALOX15ALOX12HBB
SCHEMBL23144792 0.77 NR1I2 (0.35) NR1I2ADORA3OPRM1OPRK1
SCHEMBL31528244 0.77 NR1I2 (0.35) NR1I2ADORA3OPRM1OPRK1
SCHEMBL31528009 0.76 CACNA1S (0.38) OPRM1MAPT
SCHEMBL16132467 0.75 BRD4 (0.37) NR1I2ADORA3OPRM1OPRK1RXRA
SCHEMBL21603583 0.73 PKM (0.38) OPRK1MEN1MAPTALOX15ALOX12
SCHEMBL31528034 0.71 RXRA (0.35) NR1I2ADORA3OPRM1OPRK1RXRA
SCHEMBL31528090 0.71 GSK3B (0.38) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025078811-A1 CANNABINOID COMPOUNDS AND USES THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2025-04-17 WO claimed
WO-2025078811-A1 CANNABINOID COMPOUNDS AND USES THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2025-04-17 WO disclosed