SCHEMBL27299166

SCHEMBL27299166

CC(C(N)=O)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MITF O75030 1/20 0.33
PKM P14618 2/20 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
SCHEMBL2977912 0.82 ALDH1A1 (0.39) L3MBTL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL574245 0.80 ALDH1A1 (0.40) L3MBTL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL28407960 0.80 ALDH1A1 (0.40) L3MBTL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL28016917 0.76 L3MBTL1 (0.36) L3MBTL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL27453998 0.73 HTR2A (0.35) L3MBTL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL28290766 0.73 ALDH1A1 (0.41) L3MBTL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL1799400 0.73 ALDH1A1 (0.39) L3MBTL1HTR2AHTR2CHTR2BTAAR1
SCHEMBL1796846 0.72 ALDH1A1 (0.44) L3MBTL1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL11412833 0.72 ALDH1A1 (0.41) L3MBTL1TAAR1ALDH1A1MITFPKM
SCHEMBL27295425 0.71 TRPA1 (0.31)

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-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN disclosed