SCHEMBL4689379

SCHEMBL4689379

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTR2A P28223 3/20 0.41
▸ NR4A2 P43354 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ SNCA P37840 1/20 0.39

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
SCHEMBL4689070 0.88 GABRA1 (0.48) MTNR1AMTNR1BGPR84HTR2ANR4A2
SCHEMBL3952651 0.87 KDM4E (0.51) TSHRMTNR1AMTNR1BGPR84HSD17B10
SCHEMBL3952650 0.87 KDM4E (0.51) TSHRMTNR1AMTNR1BGPR84HSD17B10
SCHEMBL4688784 0.87 SCN9A (0.44) MTNR1AMTNR1BHSD17B10SCN9ATRPM8
SCHEMBL3949134 0.84 TRPV1 (0.44) MTNR1ASCN9ATRPM8
SCHEMBL4688421 0.82 LTA4H (0.43) MTNR1AMTNR1BHTR2ASCN9ATRPM8
SCHEMBL4038258 0.81 SCN9A (0.40) MTNR1AMTNR1BSCN9ATRPM8
SCHEMBL4686398 0.81 TSHR (0.50) TSHRMTNR1AMTNR1BGPR84GFER
SCHEMBL3019423 0.78 GPR84 (0.44) TSHRGPR84HTR2ANR4A2
SCHEMBL9257193 0.76 GPR84 (0.55) TSHRMTNR1AMTNR1BGPR84GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996592-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS Nycomed GmbH (DE) 2008-12-03 — — EP disclosed
EP-1994033-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2008-11-26 — — EP disclosed
WO-2007096393-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2007-08-30 — — WO disclosed
WO-2007096395-A1 INDOLOPYRIDINES AS EG5 KINESIN MODULATORS 4SC AG (DE) 2007-08-30 — — WO disclosed
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