SCHEMBL20879839

SCHEMBL20879839

CC(C)(O)CCc1ccc(C2C(C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.39
▸ GIPR P48546 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HSD11B1 P28845 2/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ RHOA P61586 3/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ SPHK2 Q9NRA0 1/20 0.37
▸ APEX1 P27695 1/20 0.37

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
SCHEMBL18790138 1.00 GCGR (0.39) GCGRGIPRRXFP1HSD11B1HSD17B1
SCHEMBL14960510 1.00 GCGR (0.39) GCGRGIPRRXFP1HSD11B1HSD17B1
SCHEMBL14959102 0.94 UBE2M (0.40) GCGRGIPRRXFP1HSD11B1HSD17B1
SCHEMBL14960509 0.91 RXFP1 (0.42) GCGRGIPRRXFP1UBE2MDCUN1D1
SCHEMBL18790161 0.91 RXFP1 (0.42) GCGRGIPRRXFP1UBE2MDCUN1D1
SCHEMBL13327392 0.91 RXFP1 (0.42) GCGRGIPRRXFP1UBE2MDCUN1D1
SCHEMBL15088237 0.90 RXFP1 (0.37) GCGRGIPRRXFP1UBE2MDCUN1D1
SCHEMBL15088254 0.88 EPHX2 (0.39) GCGRGIPRRXFP1MAPK1UBE2M
SCHEMBL18790204 0.87 MAPK14 (0.37) GCGRGIPRRXFP1UBE2MDCUN1D1
SCHEMBL21163857 0.87 MAPK14 (0.37) GCGRGIPRRXFP1UBE2MDCUN1D1

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-3078658-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2019-04-10 — — EP disclosed
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