SCHEMBL15085546

SCHEMBL15085546

O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)C1CC(c2cccnc2S(=O)(=O)O)=NN1c1ncccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
CNR2 P34972 6/20 0.39
CNR1 P21554 1/20 0.39
CHRM1 P11229 7/20 0.36
MALT1 Q9UDY8 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM5 P08912 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL15085548 0.89 CNR2 (0.38) P2RX7CNR2CNR1CHRM1MALT1
SCHEMBL15085626 0.88 P2RX7 (0.38) P2RX7CNR2CHRM1MALT1CHRM2
SCHEMBL15085649 0.88 P2RX7 (0.38) P2RX7CNR2CHRM1MALT1CHRM2
SCHEMBL15085529 0.88 P2RX7 (0.38) P2RX7CNR2CNR1CHRM1MALT1
SCHEMBL15085523 0.87 CNR2 (0.37) P2RX7CNR2CNR1CHRM1MALT1
SCHEMBL15189809 0.87 CNR2 (0.42) P2RX7CNR2CNR1CHRM1MALT1
SCHEMBL15085578 0.86 CNR2 (0.35) P2RX7CNR2CNR1MALT1CYP2D6
SCHEMBL15085594 0.86 F10 (0.37) MALT1HTT
SCHEMBL590527 0.85 CNR2 (0.43) P2RX7CNR2CNR1CHRM1MALT1
SCHEMBL591382 0.85 CNR2 (0.45) P2RX7CNR2CNR1CHRM1MALT1

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-8481744-B2 Process for producing anthranilamide compound ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-07-09 US disclosed