SCHEMBL7676296

SCHEMBL7676296

COC(=O)c1ccc(Cl)c(C)c1NC(=O)c1ccc(C)nc1C(=O)NCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
HTR3A P46098 1/20 0.38
HTR4 Q13639 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PAK1 Q13153 2/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
CNR1 P21554 5/20 0.36
CNR2 P34972 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KCNH2 Q12809 1/20 0.36
S1PR4 O95977 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
P2RX7 Q99572 2/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL7675273 0.88 P2RX7 (0.39) PTGER4HTR3AHTR4PDE4APDE4B
SCHEMBL7678800 0.88 ALDH1A1 (0.37) PTGER4HTR3AHTR4PDE4APDE4B
SCHEMBL7684703 0.88 CNR1 (0.46) HTR3AHTR4PDE4APDE4BPDE4C
SCHEMBL678914 0.87 P2RX7 (0.38) HTR3AHTR4PDE4APDE4BPDE4C
SCHEMBL7677391 0.85 CNR1 (0.38) HTR3AHTR4PDE4APDE4BPDE4C
SCHEMBL7676323 0.85 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL7679461 0.82 CNR1 (0.39) PTGER4ACACBACACACNR1CNR2
SCHEMBL7677655 0.82 CNR2 (0.40) HTR3AHTR4PDE4APDE4BPDE4C
SCHEMBL7684280 0.81 CNR1 (0.43) PAK1CNR1CNR2NPC1P2RX7
SCHEMBL12808578 0.80 PAK1 (0.36) HTR3AHTR4PDE4APDE4BPDE4C

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