SCHEMBL6195172

SCHEMBL6195172

COc1ccc2c(c1)c(C(C)N(C(C)=O)C(C)=O)c1n2C(=O)c2ccccc2-1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.42
▸ MTNR1B P49286 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ PLA2G2A P14555 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5093055 0.87 MEN1 (0.40) MTNR1AMTNR1BMAPTHTTKDM4E
SCHEMBL6193839 0.83 MTNR1A (0.46) MTNR1AMTNR1BMAPTHTTKDM4E
SCHEMBL6195167 0.78 MTNR1A (0.51) MTNR1AMTNR1BMAPTKDM4EALDH1A1
SCHEMBL28394719 0.75 GRIK2 (0.50) MAPTHTTKDM4EALDH1A1L3MBTL1
SCHEMBL6193835 0.72 MTNR1A (0.66) MTNR1AMTNR1BMAPTKDM4EALDH1A1
SCHEMBL5094722 0.71 TACR1 (0.39) MAPTHTTKDM4EALDH1A1L3MBTL1
SCHEMBL6193060 0.71 MAT2A (0.37) ALDH1A1KMT2APOLBNPSR1
Oxalic Acid SCHEMBL5094988 0.71 PTGDR2 (0.38) MAPTALDH1A1
SCHEMBL5094694 0.71 PER2 (0.35) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL5089912 0.71 NTRK1 (0.38) MAPTKDM4EL3MBTL1KMT2AMEN1

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
EP-1517909-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Suven Life Sciences Limited (IN) 2005-03-30 — — EP disclosed
WO-2004000205-A2 NOVEL TETRACYCLIC ARYLCARBONYL INDOLES HAVING SEROTONIN RECEPTOR AFFINITY USEFUL AS THERAPEUTIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2003-12-31 — — WO disclosed
Send feedback