SCHEMBL28046111

SCHEMBL28046111

CC(C)(C)NC(=O)OC1(c2ccc(I)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
ACHE P22303 3/20 0.32
TBXA2R P21731 2/20 0.32
BCHE P06276 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL17674529 0.84 KMT2A (0.45) L3MBTL1FPR2
SCHEMBL28042117 0.84 EGFR (0.39) OPRM1DPP8DPP9
SCHEMBL27788488 0.79 KMT2A (0.43) OPRM1L3MBTL1FPR2
SCHEMBL27878075 0.79 POLB (0.36) L3MBTL1ACHEBCHEDPP8DPP9
SCHEMBL28807673 0.79 HSD11B1 (0.43)
SCHEMBL17674500 0.79 APP (0.40) OPRM1
SCHEMBL27869042 0.79 GAA (0.32)
SCHEMBL5644519 0.78 OPRM1 (0.39) OPRM1CA1CA2
SCHEMBL22657406 0.76 AAK1 (0.43) CA1CA2
SCHEMBL22657411 0.76 P2RX7 (0.35) OPRM1ACHEBCHEFPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105531264-B Antibacterial 2H-indazole derivatives 爱杜西亚药品有限公司 2018-04-10 CN disclosed
CN-105531264-A Antibacterial 2H-indazole derivatives ACTELION PHARMACEUTICALS LTD 2016-04-27 CN disclosed