SCHEMBL6988070

SCHEMBL6988070

COC(=O)c1cc2ccccc2n1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
KMT2A Q03164 2/20 0.47
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
DAO P14920 1/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL6988076 0.87 MCL1 (0.58) MTNR1AMTNR1BNOD2NOD1KMT2A
SCHEMBL18537881 0.87 NR1H2 (0.53) MTNR1AMTNR1B
SCHEMBL4794627 0.83 MTNR1A (0.57) MTNR1AMTNR1BNOD2NOD1KMT2A
SCHEMBL7873282 0.82 MTNR1A (0.56) MTNR1AMTNR1BNOD2NOD1KMT2A
SCHEMBL7884242 0.80 DAO (0.64) MTNR1AMTNR1BNOD2NOD1KMT2A
SCHEMBL29834903 0.80 L3MBTL1 (0.67) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL4486403 0.80 L3MBTL1 (0.67) MTNR1AMTNR1BKMT2AMCL1L3MBTL1
SCHEMBL4740170 0.80 MTNR1A (0.53) MTNR1AMTNR1BNOD2NOD1KMT2A
SCHEMBL1672526 0.80 MTNR1A (0.48) MTNR1AMTNR1BNOD2NOD1KMT2A
SCHEMBL17075022 0.79 L3MBTL1 (0.47) MTNR1AMTNR1BNOD2NOD1KMT2A

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-1335917-A2 CONDENSED PYRIDOINDOLE DERIVATIVES Lilly Icos LLC (US) 2003-08-20 EP claimed
WO-2002028859-A2 CONDENSED PYRIDOINDOLE DERIVATIVES LILLY ICOS LLC (US) 2002-04-11 WO claimed