SCHEMBL7685451

SCHEMBL7685451

Cc1ccc(C(=O)Nc2cccc(Cl)c2C#N)c(C(=O)NCC2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.43
CNR2 P34972 11/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
PAK1 Q13153 1/20 0.40
P2RX7 Q99572 1/20 0.40
CHRM1 P11229 1/20 0.39
NPC1 O15118 1/20 0.38
HTR3A P46098 1/20 0.37
HTR4 Q13639 1/20 0.37

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
SCHEMBL7684280 0.83 CNR1 (0.43) CNR1CNR2PAK1P2RX7CHRM1
SCHEMBL7678800 0.83 ALDH1A1 (0.37) CNR1CNR2PAK1HTR3AHTR4
SCHEMBL7676345 0.81 ALDH1A1 (0.38) CNR1CNR2
SCHEMBL7682637 0.77 CNR1 (0.45) CNR1CNR2
SCHEMBL7675273 0.73 P2RX7 (0.39) CNR1CNR2PAK1P2RX7NPC1
SCHEMBL7676296 0.73 PTGER4 (0.40) CNR1CNR2PAK1P2RX7NPC1
SCHEMBL678914 0.72 P2RX7 (0.38) CNR1CNR2PAK1P2RX7CHRM1
SCHEMBL7677655 0.71 CNR2 (0.40) CNR1CNR2PAK1P2RX7CHRM1
SCHEMBL7684703 0.71 CNR1 (0.46) CNR1CNR2PAK1P2RX7NPC1
SCHEMBL12808578 0.71 PAK1 (0.36) CNR1CNR2PAK1P2RX7CHRM1

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