SCHEMBL28682802

SCHEMBL28682802

CC(C)[C@@H]1c2ncc(Cl)cc2CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.37
AOC3 Q16853 3/20 0.36
FNTA P49354 5/20 0.34
FNTB P49356 5/20 0.34
RORC P51449 4/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HHAT Q5VTY9 1/20 0.34
P2RX7 Q99572 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL16972949 0.86 RORC (0.39) MDM2RORC
SCHEMBL16972952 0.86 RORC (0.39) MDM2RORC
SCHEMBL16968531 0.74 MEN1 (0.42) FNTAFNTBRORCESR2
SCHEMBL30139745 0.74 MEN1 (0.42) FNTAFNTBRORCESR2
SCHEMBL16972920 0.72 RORC (0.45) RORC
SCHEMBL16972921 0.72 RORC (0.45) RORC
SCHEMBL16977424 0.71 BACE1 (0.34) FNTAFNTB
SCHEMBL17688603 0.71 HRH4 (0.34) MDM2P2RX7
SCHEMBL12094922 0.70 AOC3 (0.65) AOC3
SCHEMBL1973686 0.70 AOC3 (0.65) AOC3

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
CN-108463458-B Modulators of ROR-gamma 生命医药有限责任公司 2022-02-01 CN disclosed