SCHEMBL9257193

SCHEMBL9257193

CC(C)(Cc1c[nH]c2ccc(Cl)cc12)[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.55
▸ HTR2A P28223 4/20 0.50
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ SLC6A4 P31645 3/20 0.48
▸ GFER P55789 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ADRA1D P25100 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ ADRA1B P35368 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42

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
SCHEMBL10940809 0.84 GPR84 (0.55) GPR84HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL10945450 0.82 GPR84 (0.59) GPR84HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL22879502 0.81 GPR84 (0.63) GPR84HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL12396967 0.81 GPR84 (0.67) GPR84HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL10946479 0.80 PKM (0.51) GPR84HTR2ASLC6A4HSD17B10TSHR
SCHEMBL4510688 0.79 GPR84 (0.63) GPR84HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL28370930 0.76 HTR2A (0.61) GPR84HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL4689379 0.76 TSHR (0.44) GPR84HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL10119751 0.76 GPR84 (0.73) GPR84HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL5643971 0.76 GPR84 (0.55) GPR84HTR2ATSHRMEN1KMT2A

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-5436264-A Adrenergic blocking agents for vasoconstriction and hypotensive agents SYNTEX (U.S.A.) INC. (US) 1995-07-25 — — US disclosed
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