SCHEMBL7547397

SCHEMBL7547397

COC(=O)c1[nH]c2cc(Cl)cc3c2c1C(C(C)C(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1OCC(=O)OC(C)(C)C)CC3

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
NR1I3 Q14994 1/20 0.32
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
MAPK14 Q16539 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
APOBEC3A P31941 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
RAF1 P04049 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
CDK1 P06493 1/20 0.30

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
SCHEMBL7549039 0.96 ALOX15 (0.32) NR1I3KDM4EALDH1A1MAPT
SCHEMBL7550091 0.90 NR1I3 (0.32) NR1I3EGFRSRCSIRT2SIRT1
SCHEMBL7549047 0.89 MAPK14 (0.33) NR1I3EGFRSRCMAPK14KDM4E
SCHEMBL7547271 0.88 RORC (0.31) NR1I3MAPK14RAF1SIRT2SIRT1
SCHEMBL7548644 0.88 MAPK14 (0.32) NR1I3MAPK14KDM4EALDH1A1RAF1
SCHEMBL7550465 0.87 MAPK14 (0.31) NR1I3MAPK14RAF1SIRT2SIRT1
SCHEMBL7555176 0.83 KDM4E (0.31) CNR1KDM4EALDH1A1MAPT
SCHEMBL7548912 0.81 NR1I3 (0.31) NR1I3SIRT2SIRT1
SCHEMBL7554010 0.80 AAK1 (0.36) NR1I3KDM4EALDH1A1
SCHEMBL7554403 0.80 RORC (0.34) NR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657427-B1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMA (JP) 2002-06-19 EP disclosed
US-5496843-A Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-03-05 US disclosed
EP-0657427-A1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-06-14 EP disclosed