SCHEMBL7995530

SCHEMBL7995530

SCCCNCc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.53
OPRD1 P41143 11/20 0.53
OPRK1 P41145 8/20 0.53
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
GRIN1 Q05586 1/20 0.49
KCNH2 Q12809 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
ROCK1 Q13464 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
ACACB O00763 1/20 0.41
CD274 Q9NZQ7 2/20 0.41
DRD4 P21917 1/20 0.41
BCHE P06276 2/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL10483899 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL10483917 0.86 OPRM1 (0.55) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL7993789 0.80 KDM1A (0.44) CD274
SCHEMBL16839636 0.74 OPRM1 (0.53) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3692558 0.74 OPRM1 (0.88) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL4342037 0.74 LMNA (0.53) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3698094 0.73 OPRM1 (0.70) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL7996321 0.72 CHRM2 (0.43)
SCHEMBL7999060 0.72 CHRM2 (0.43) CD274
SCHEMBL7999500 0.72 CXCR4 (0.40)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed