SCHEMBL4687515

SCHEMBL4687515

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.52
▸ GABRB1 P18505 1/20 0.52
▸ GABRA3 P34903 1/20 0.52
▸ GABRB2 P47870 1/20 0.52
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ GPR84 Q9NQS5 1/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ NR4A2 P43354 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ IDO1 P14902 1/20 0.41

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
SCHEMBL4686398 0.86 TSHR (0.50) MTNR1AMTNR1BGPR84HTR2ATRPM8
SCHEMBL4689087 0.85 ICMT (0.48) MTNR1AMTNR1BHTR2ATRPM8
SCHEMBL1196741 0.85 KDM4E (0.55) MTNR1AMTNR1BGPR84HTR2ATRPM8
SCHEMBL1196742 0.85 KDM4E (0.55) MTNR1AMTNR1BGPR84HTR2ATRPM8
SCHEMBL4689697 0.83 TRPV1 (0.47) MTNR1AMTNR1BTRPM8
SCHEMBL4689483 0.81 HTR1B (0.46) MTNR1AMTNR1BHTR2ATRPM8
SCHEMBL4689070 0.81 GABRA1 (0.48) GABRA1GABRB1GABRA3GABRB2MTNR1A
SCHEMBL30419995 0.77 PKM (0.67) GABRA1GABRB1GABRA3GABRB2MTNR1A
SCHEMBL3703101 0.77 PKM (0.67) GABRA1GABRB1GABRA3GABRB2MTNR1A
SCHEMBL5263791 0.75 SCN9A (0.64) GABRA1GABRB1GABRA3GABRB2MTNR1A

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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