SCHEMBL24529173

SCHEMBL24529173

CCN(Cc1cccc(-c2ccc3nccn3c2)c1)C(=O)NC(CCC(F)(F)F)C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 8/20 0.72
▸ RET P07949 4/20 0.42
▸ PTGES O14684 2/20 0.39
▸ AOC3 Q16853 2/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ GRM2 Q14416 1/20 0.34

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
SCHEMBL24529170 0.84 HCRTR2 (1.00) HCRTR2RETTGFBR1MCHR1
SCHEMBL27181016 0.84 HCRTR2 (1.00) HCRTR2RETTGFBR1MCHR1
SCHEMBL27181021 0.84 HCRTR2 (1.00) HCRTR2RETTGFBR1MCHR1
SCHEMBL24529288 0.77 HCRTR2 (0.53) HCRTR2PTGESMGLL
SCHEMBL24529700 0.77 HCRTR2 (0.52) HCRTR2PTGES
SCHEMBL24529380 0.74 HCRTR2 (0.42) HCRTR2PTGES
SCHEMBL24529668 0.74 HCRTR2 (0.58) HCRTR2RETTGFBR1MCHR1
SCHEMBL29723804 0.74 HCRTR2 (0.58) HCRTR2RETTGFBR1MCHR1
SCHEMBL29723579 0.74 HCRTR2 (0.58) HCRTR2RETTGFBR1MCHR1
SCHEMBL24529484 0.74 HCRTR2 (0.58) HCRTR2RETTGFBR1MCHR1

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-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
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