SCHEMBL7993877

SCHEMBL7993877

CN(C)c1ncc(CNCCN)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.38
MC5R P33032 2/20 0.38
GRM5 P41594 2/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNH2 Q12809 1/20 0.35
MC3R P41968 1/20 0.33
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
NOS1 P29475 1/20 0.31
CA12 O43570 3/20 0.31
CA9 Q16790 3/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CHRM2 P08172 2/20 0.31

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
SCHEMBL7999686 0.93 MC4R (0.41) MC4RMC5RGRM5CYP2C9CYP2C19
SCHEMBL16269186 0.82 CD274 (0.40) GRM5CYP2C9CYP2C19ALOX15KDM4E
SCHEMBL7995408 0.79 MC4R (0.41) MC4RMC5RALOX15KDM4EALDH1A1
SCHEMBL10863942 0.78 MC4R (0.41) MC4RMC5RKCNH2MC3RNOS1
SCHEMBL7995502 0.76 MC4R (0.41) MC4RMC5RALOX15KDM4EALDH1A1
SCHEMBL7995384 0.76 MC4R (0.41) MC4RMC5RALOX15KDM4EALDH1A1
SCHEMBL7996444 0.75 MC4R (0.38) MC4RMC5RMC3RCA12CA9
SCHEMBL7981901 0.75 MC4R (0.41) MC4RMC5RALOX15ALDH1A1MC3R
SCHEMBL7980765 0.75 CHRM2 (0.39) MC4RMC5RKDM4EALDH1A1MC3R
SCHEMBL16846580 0.75 GRM5 (0.41) GRM5ALOX15KDM4EALDH1A1HSD17B10

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 11 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-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