SCHEMBL29826329

SCHEMBL29826329

N#Cc1cccc(F)c1OCc1cccc(Br)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
ADORA2A P29274 1/20 0.33
CXCR2 P25025 1/20 0.32
FFAR1 O14842 1/20 0.31
PLAU P00749 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BCAT1 P54687 1/20 0.30
AR P10275 1/20 0.30
GAA P10253 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
SCHEMBL23796077 0.76 ALOX5AP (0.48) KCNH2ALOX5APFEN1ADORA2AFFAR1
SCHEMBL9738684 0.75 IDO1 (0.40) ALOX5APFEN1FFAR1PLAUNPC1
SCHEMBL450088 0.74 KDM1A (0.50) MRGPRX4NPC1TDP1L3MBTL1
SCHEMBL31066647 0.73 HTR7 (0.40) PLAUNPC1RAB9ATDP1L3MBTL1
SCHEMBL30054255 0.72 CNR1 (0.35) ALOX5APFEN1PLAUMRGPRX4NPC1
SCHEMBL16054616 0.71 CYP11B1 (0.40) NPC1RAB9ATDP1L3MBTL1AR
SCHEMBL29826487 0.71 CYP11B2 (0.33) FEN1PLAUMRGPRX4NPC1RAB9A
SCHEMBL28289636 0.69 AR (0.39) L3MBTL1ARGAA
SCHEMBL15923839 0.69 ALDH1A1 (0.44) L3MBTL1
SCHEMBL30513214 0.68 AR (0.40) RAB9AL3MBTL1ARGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4284795-A1 GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE Carmot Therapeutics, Inc. (US) 2023-12-06 EP disclosed
CN-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 CN disclosed
WO-2022165076-A1 GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2022-08-04 WO disclosed