SCHEMBL7677655

SCHEMBL7677655

COCc1c(Cl)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
PDE4B Q07343 3/20 0.36
PAK1 Q13153 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
P2RX7 Q99572 3/20 0.35
HTR3A P46098 1/20 0.35
HTR4 Q13639 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPK14 Q16539 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7675255 0.89 CNR1 (0.40) CNR2CNR1ACACBACACAMAPK14
SCHEMBL678914 0.86 P2RX7 (0.38) CNR2CNR1PDE4BPAK1PDE4A
SCHEMBL7679361 0.86 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DMAPK14
SCHEMBL7684703 0.85 CNR1 (0.46) CNR2CNR1PDE4BPAK1PDE4A
SCHEMBL7677539 0.85 HPGD (0.39) CNR2PDE4BPDE4APDE4CPDE4D
SCHEMBL7677645 0.84 PTGS2 (0.40) CNR2CNR1PDE4BPDE4APDE4C
SCHEMBL7681363 0.84 PTGS2 (0.41) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL7683343 0.84 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DP2RX7
SCHEMBL12808578 0.83 PAK1 (0.36) CNR2CNR1PDE4BPAK1PDE4A
SCHEMBL7676296 0.82 PTGER4 (0.40) CNR2CNR1PDE4BPAK1PDE4A

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-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed