SCHEMBL7697186

SCHEMBL7697186

COc1ccc(N2Cc3ccc(CN4C(=O)c5cnc(C(=O)NN)cc5C4=O)cc3C2=O)cc1OC(C)CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTR2C P28335 3/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
HTR2A P28223 1/20 0.34
ABCB1 P08183 1/20 0.34
MAPT P10636 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CACNA2D1 P54289 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
UTS2R Q9UKP6 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7694128 0.93 MCHR1 (0.42) MCHR1POLBKDM4EUSP2LMNA
SCHEMBL7697705 0.90 MCHR1 (0.44) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7697825 0.89 MCHR1 (0.43) MCHR1POLBKDM4EUSP2LMNA
SCHEMBL7698418 0.88 PDE4A (0.41) MCHR1POLBPDE4APDE4BPDE4C
SCHEMBL7692463 0.88 MCHR1 (0.44) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7699738 0.88 MCHR1 (0.42) MCHR1POLBKDM4EUSP2LMNA
SCHEMBL7692409 0.84 MCHR1 (0.44) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7700767 0.83 MCHR1 (0.42) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7695681 0.83 PDE4A (0.42) MCHR1LMNAHTR2CPDE4APDE4B
SCHEMBL7696591 0.80 MCHR1 (0.49) MCHR1LMNAHTR2CPDE4APDE4B

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
WO-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed