SCHEMBL3970852

SCHEMBL3970852

O=C(COc1ccc(Cl)c(Cl)c1)NCCc1cn(-c2ccccc2)c2ccc(C(=O)O)cc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
PLA2G4A P47712 8/20 0.53
METTL3 Q86U44 2/20 0.41
METTL14 Q9HCE5 2/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3969854 0.87 MTNR1A (0.66) MTNR1AMTNR1BPLA2G4A
SCHEMBL3970925 0.86 MTNR1A (0.55) MTNR1AMTNR1BPLA2G4AMRGPRX4
SCHEMBL4207303 0.85 MTNR1A (0.64) MTNR1AMTNR1BPLA2G4A
SCHEMBL3972866 0.85 MTNR1A (0.55) MTNR1AMTNR1BPLA2G4AALDH1A1
SCHEMBL13883771 0.80 MTNR1A (0.56) MTNR1AMTNR1BPLA2G4A
SCHEMBL13883746 0.76 MTNR1A (0.52) MTNR1AMTNR1BPLA2G4AALDH1A1
SCHEMBL28650889 0.74 PTPN1 (0.61) GRIN1GRIN2BADAMTS5ALDH1A1
SCHEMBL3970351 0.74 MTNR1A (0.51) MTNR1AMTNR1BPLA2G4A
SCHEMBL3974599 0.73 PLA2G4A (0.54) MTNR1AMTNR1BPLA2G4AALDH1A1
SCHEMBL3969848 0.72 PLA2G4A (0.52) MTNR1AMTNR1BPLA2G4AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO claimed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed