SCHEMBL24627883

SCHEMBL24627883

COc1cc2c(OC)cccc2cc1C(=O)N[C@@H](CCCNC(=N)CF)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.43
▸ PADI4 Q9UM07 2/20 0.39
▸ PADI2 Q9Y2J8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ FOLH1 Q04609 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ MMP2 P08253 1/20 0.36

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
SCHEMBL27174782 1.00 MCHR1 (0.43) MCHR1PADI4PADI2KDM4EALDH1A1
SCHEMBL30804864 1.00 MCHR1 (0.43) MCHR1PADI4PADI2KDM4EALDH1A1
SCHEMBL30665193 0.94 PADI4 (0.43) MCHR1PADI4PADI2KDM4EALDH1A1
SCHEMBL24627778 0.94 PADI4 (0.43) MCHR1PADI4PADI2KDM4EALDH1A1
SCHEMBL27174787 0.94 PADI4 (0.43) MCHR1PADI4PADI2KDM4EALDH1A1
SCHEMBL24627880 0.94 PDE10A (0.40) MCHR1PADI4PADI2KDM4EALDH1A1
SCHEMBL30804861 0.94 KMT2A (0.45) MCHR1PADI4PADI2KDM4EALDH1A1
SCHEMBL24627885 0.94 KMT2A (0.45) MCHR1PADI4PADI2KDM4EALDH1A1
SCHEMBL30804847 0.94 PDE10A (0.40) MCHR1PADI4PADI2KDM4EALDH1A1
SCHEMBL27174823 0.94 PDE10A (0.40) MCHR1PADI4PADI2KDM4EALDH1A1

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-2022148457-A1 SUBSTITUTED SALICYLAMIDE COMPOUNDS AND USE THEREOF HELIOS HUAMING BIOPHARMA CO., LTD. (CN) 2022-07-14 — — WO disclosed
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