SCHEMBL7420567

SCHEMBL7420567

Cc1c[c]c2c3c(C(N)=O)cccc3n(CCc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PARP1 P09874 3/20 0.39
PARP2 Q9UGN5 2/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.38
ADRA1D P25100 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
FAAH O00519 3/20 0.37
PLA2G2A P14555 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
POLB P06746 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
SCHEMBL7616815 0.93 SIRT2 (0.38) MEN1KMT2APARP1PARP2MAPT
SCHEMBL7425057 0.90 PLA2G2A (0.44) KDM4EALDH1A1PLA2G2A
SCHEMBL7421034 0.90 MAPT (0.40) CNR2MAPT
SCHEMBL27506423 0.85 ADRA1D (0.43) MEN1KMT2APARP1PARP2MAPT
SCHEMBL28740873 0.85 PLA2G2A (0.42) MEN1KMT2ASMN1; SMN2ADRA1DPLA2G2A
SCHEMBL27505591 0.84 KLKB1 (0.45) PARP1ADRA1DPLA2G2A
SCHEMBL27507182 0.84 KLK1 (0.43) PLA2G2A
SCHEMBL27526403 0.83 GAA (0.41) MEN1KMT2APARP1PARP2MAPT
SCHEMBL27505227 0.83 RPS6KB1 (0.35) PARP1ADRA1DPLA2G2A
SCHEMBL27506336 0.83 FABP4 (0.37) PARP1PLA2G2A

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-1259260-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2002-11-27 EP claimed
WO-2001049323-A1 COMBINATION THERAPY FOR THE TREATMENT OF INFLAMMATORY AND RESPIRATORY DISEASES ELI LILLY AND COMPANY (US) 2001-07-12 WO claimed