SCHEMBL3949134

SCHEMBL3949134

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.44
▸ SCN9A Q15858 1/20 0.42
▸ MTNR1A P48039 1/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTR1D P28221 2/20 0.38
▸ HTR1B P28222 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL3952651 0.89 KDM4E (0.51) MTNR1AHTR1AHTR7HTR6KDM4E
SCHEMBL3952650 0.89 KDM4E (0.51) MTNR1AHTR1AHTR7HTR6KDM4E
SCHEMBL4688784 0.89 SCN9A (0.44) SCN9AMTNR1AHTR1AKDM4EHTR1D
SCHEMBL4688421 0.85 LTA4H (0.43) SCN9AMTNR1AHTR1AKDM4EHTR1D
SCHEMBL4689379 0.84 TSHR (0.44) SCN9AMTNR1ATRPM8
SCHEMBL4689070 0.84 GABRA1 (0.48) SCN9AMTNR1ATRPM8
SCHEMBL4038258 0.83 SCN9A (0.40) SCN9AMTNR1AHTR1AKDM4EHTR1D
SCHEMBL4689697 0.82 TRPV1 (0.47) TRPV1SCN9AMTNR1AHTR1AHTR7
SCHEMBL4038119 0.79 TRPV1 (0.51) TRPV1MTNR1AHTR1AHTR7HTR6
SCHEMBL4038114 0.79 TRPV1 (0.51) TRPV1MTNR1AHTR1AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033962-A1 Tetracyclic indolopyridines as EG5 inhibitors 4SC AG (DE) 2009-03-11 — — EP disclosed
WO-2009024613-A1 TETRACYCLIC INDOLOPYRIDINES AS EG5 INHIBITORS 4SC AG (DE) 2009-02-26 — — WO disclosed
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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