SCHEMBL25101002

SCHEMBL25101002

c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccccn5)ccc4-c4ccccc4-c4cc(CCc5ccc(-c6ccccn6)cc5)cc(CCc5ccc(-c6ccccn6)cc5)c4)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
BRS3 P32247 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
PDK2 Q15119 1/20 0.37
GRM5 P41594 2/20 0.37
HIF1A Q16665 2/20 0.36
NR1I2 O75469 1/20 0.36
NMBR P28336 1/20 0.36
GRPR P30550 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35

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
SCHEMBL21290007 1.00 FFAR1 (0.43) FFAR1BRS3HRH3FAAHCES1
SCHEMBL25100964 1.00 FFAR1 (0.43) FFAR1BRS3HRH3FAAHCES1
SCHEMBL21290404 0.94 FFAR1 (0.43) FFAR1BRS3HRH3FAAHCES1
SCHEMBL21290071 0.94 FFAR1 (0.43) FFAR1BRS3HRH3FAAHCES1
SCHEMBL26550027 0.93 FFAR1 (0.44) FFAR1BRS3HRH3FAAHCES1
SCHEMBL22914977 0.88 PDK2 (0.45) HRH3PDK2GRM5HIF1AHTT
SCHEMBL21290226 0.87 TGFBR1 (0.43) FFAR1BRS3HRH3FAAHCES1
SCHEMBL23487554 0.86 FFAR1 (0.45) FFAR1BRS3HRH3FAAHCES1
SCHEMBL26549053 0.86 BRS3 (0.41) FFAR1BRS3PDK2GRM5TSHR
SCHEMBL25100830 0.85 CYP11B1 (0.38) FFAR1BRS3HRH3FAAHCES1

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
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed