SCHEMBL5881130

SCHEMBL5881130

COc1ccc(CC(=O)NC2(C(N)=O)CCc3[nH]c4ccccc4c3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
NMBR P28336 8/20 0.45
PARP14 Q460N5 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
GP6 Q9HCN6 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
MET P08581 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5881075 0.89 NMBR (0.43) TACR1NMBRPARP14TRPV1KDM4E
SCHEMBL5880972 0.79 NMBR (0.45) TACR1NMBRPARP14MEN1KMT2A
SCHEMBL5881086 0.78 TACR1 (0.44) TACR1NMBRCYP2C9CYP2C19
SCHEMBL5881092 0.78 NMBR (0.44) TACR1NMBRPARP14TRPV1MEN1
SCHEMBL5881261 0.77 TACR1 (0.43) TACR1NMBR
SCHEMBL5881070 0.74 TACR1 (0.42) TACR1NMBRTRPV1
SCHEMBL5881088 0.73 TACR1 (0.66) TACR1NMBRTRPV1KDM4ECYP2C9
SCHEMBL5881263 0.72 NMBR (0.44) TACR1NMBRLMNA
SCHEMBL5880965 0.70 TACR1 (0.60) TACR1NMBRTRPV1LMNAMAPT
SCHEMBL5881032 0.68 TACR1 (0.51) TACR1NMBRKDM4EMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US disclosed