SCHEMBL6613161

SCHEMBL6613161

CCN(c1ccc(NC(=O)OC2CC(=O)N(CCc3cccs3)C2)cc1)c1nc(C)cc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 1/20 0.37
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
GAA P10253 3/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 3/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.33
GHSR Q92847 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL6612748 0.91 RXFP3 (0.38) RXFP3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6613618 0.88 GFER (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5843190 0.87 RXFP3 (0.50) RXFP3ALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL6610777 0.86 POLB (0.42) RXFP3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6624165 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2L3MBTL1TSHRHPGD
SCHEMBL6614116 0.83 ALDH1A1 (0.51) RXFP3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6609711 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1TSHRHPGD
SCHEMBL6665519 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6611922 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6610830 0.79 L3MBTL1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1GAA

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-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed