SCHEMBL7995408

SCHEMBL7995408

Cc1ncc(CNCCN)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.41
MC5R P33032 2/20 0.41
CHRM2 P08172 2/20 0.37
MC3R P41968 1/20 0.35
SCN8A Q9UQD0 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
CA12 O43570 3/20 0.35
CA6 P23280 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA5B Q9Y2D0 3/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33

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
SCHEMBL28240826 0.81 HRH4 (0.55) CHRM2LMNAALDH1A1HRH4HRH3
SCHEMBL7995384 0.80 MC4R (0.41) MC4RMC5RCHRM2MC3RSCN8A
SCHEMBL7995502 0.80 MC4R (0.41) MC4RMC5RCHRM2MC3RCA12
SCHEMBL5833866 0.79 MC4R (0.45) MC4RMC5RCHRM2MC3RSCN8A
SCHEMBL7981901 0.79 MC4R (0.41) MC4RMC5RCHRM2MC3RSCN8A
SCHEMBL7996444 0.79 MC4R (0.38) MC4RMC5RCHRM2MC3RCA12
SCHEMBL7993877 0.79 MC4R (0.38) MC4RMC5RCHRM2MC3RSCN8A
SCHEMBL7980765 0.79 CHRM2 (0.39) MC4RMC5RCHRM2MC3RSCN8A
SCHEMBL18899466 0.77 PDK2 (0.33) TDP1ALDH1A1TP53
SCHEMBL7993810 0.77 MC4R (0.36) MC4RMC5RMC3RCA12CA6

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