SCHEMBL27478667

SCHEMBL27478667

COC(=O)c1ccc2nc(CN3CCCCC3)n(CC3CCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 3/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.45
▸ CNR2 P34972 3/20 0.45
▸ MLLT1 Q03111 1/20 0.44
▸ MC4R P32245 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ OPRK1 P41145 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ NLRP3 Q96P20 1/20 0.42

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
SCHEMBL27477879 0.88 GLP1R (0.50) GLP1RKCNH2
SCHEMBL27478422 0.88 GLP1R (0.57) GLP1R
SCHEMBL24791812 0.87 GLP1R (0.51) GLP1RKCNH2
SCHEMBL27479069 0.87 MC4R (0.43) GLP1RHDAC6MLLT1MC4RALDH1A1
SCHEMBL23046843 0.85 ACSS2 (0.44) GLP1RCNR2ALDH1A1NPSR1CNR1
SCHEMBL27478604 0.79 MC4R (0.45) GLP1RHDAC6MLLT1MC4RALDH1A1
SCHEMBL29103527 0.79 GLP1R (0.50) GLP1RKCNH2
SCHEMBL29103523 0.79 GLP1R (0.50) GLP1RKCNH2
SCHEMBL29826354 0.79 GLP1R (0.50) GLP1RKCNH2
SCHEMBL27477841 0.76 GLP1R (0.58) GLP1RKCNH2

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-2024026338-A1 N-HETEROCYLIC GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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