SCHEMBL4689697

SCHEMBL4689697

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.47
▸ MTNR1A P48039 2/20 0.42
▸ HTR1A P08908 3/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTR1D P28221 3/20 0.41
▸ HTR1B P28222 3/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MTNR1B P49286 1/20 0.40

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
SCHEMBL1196742 0.88 KDM4E (0.55) MTNR1AHTR1AHTR7HTR6KDM4E
SCHEMBL4689087 0.88 ICMT (0.48) MTNR1AHTR1AKDM4EHTR1DHTR1B
SCHEMBL1196741 0.88 KDM4E (0.55) MTNR1AHTR1AHTR7HTR6KDM4E
SCHEMBL4689483 0.84 HTR1B (0.46) MTNR1AHTR1AKDM4EHTR1DHTR1B
SCHEMBL4686398 0.83 TSHR (0.50) MTNR1ATRPM8MTNR1B
SCHEMBL4687515 0.83 GABRA1 (0.52) MTNR1ATRPM8MTNR1B
SCHEMBL3949134 0.82 TRPV1 (0.44) TRPV1MTNR1AHTR1AHTR7HTR6
SCHEMBL3951177 0.80 TRPV1 (0.54) TRPV1MTNR1AHTR1AKDM4EHTR1D
SCHEMBL3951173 0.80 TRPV1 (0.54) TRPV1MTNR1AHTR1AKDM4EHTR1D
SCHEMBL3223154 0.78 TRPV1 (0.55) 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 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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