SCHEMBL27478604

SCHEMBL27478604

COC(=O)c1ccc2nc(CN3CCCCC3)n(CCOCC(F)(F)F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GLP1R P43220 7/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ MLLT1 Q03111 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ACSS2 Q9NR19 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL27478558 0.91 GLP1R (0.48) HDAC6GLP1R
SCHEMBL27478591 0.84 ACSS2 (0.45) SMN1; SMN2ALDH1A1ACSS2
SCHEMBL22009843 0.79 GLP1R (0.51) GLP1ROPRK1ALDH1A1ACSS2GAA
SCHEMBL30676073 0.79 GLP1R (0.51) GLP1ROPRK1ALDH1A1ACSS2GAA
SCHEMBL27478667 0.79 GLP1R (0.48) MC4RHDAC6GLP1ROPRK1MLLT1
SCHEMBL27477879 0.77 GLP1R (0.50) GLP1R
SCHEMBL27479426 0.77 GLP1R (0.37) GLP1RSMN1; SMN2CYP2D6
SCHEMBL22009801 0.76 GLP1R (0.48) GLP1RACSS2
SCHEMBL24791812 0.76 GLP1R (0.51) GLP1R
SCHEMBL27479069 0.76 MC4R (0.43) MC4RHDAC6GLP1ROPRK1MLLT1

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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