SCHEMBL14959102

SCHEMBL14959102

CC(C)(C)CCc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 3/20 0.40
▸ DCUN1D1 Q96GG9 3/20 0.40
▸ GCGR P47871 1/20 0.40
▸ GIPR P48546 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ 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
▸ RHOA P61586 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ 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
SCHEMBL20879839 0.94 GCGR (0.39) UBE2MDCUN1D1GCGRGIPRRXFP1
SCHEMBL14960510 0.94 GCGR (0.39) UBE2MDCUN1D1GCGRGIPRRXFP1
SCHEMBL18790138 0.94 GCGR (0.39) UBE2MDCUN1D1GCGRGIPRRXFP1
SCHEMBL14959092 0.90 RXFP1 (0.42) UBE2MDCUN1D1GCGRGIPRRXFP1
SCHEMBL14959097 0.87 MAPK14 (0.38) UBE2MDCUN1D1GCGRGIPRRXFP1
SCHEMBL14959087 0.87 ACKR3 (0.40) UBE2MDCUN1D1GCGRGIPRRXFP1
SCHEMBL13327392 0.85 RXFP1 (0.42) UBE2MDCUN1D1GCGRGIPRRXFP1
SCHEMBL14960509 0.85 RXFP1 (0.42) UBE2MDCUN1D1GCGRGIPRRXFP1
SCHEMBL18790161 0.85 RXFP1 (0.42) UBE2MDCUN1D1GCGRGIPRRXFP1
SCHEMBL15088237 0.85 RXFP1 (0.37) UBE2MDCUN1D1GCGRGIPRRXFP1

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
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 — — US disclosed
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