SCHEMBL7992349

SCHEMBL7992349

c1cncc(N2CCCCS2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CYP2A6 P11509 2/20 0.40
CYP3A4 P08684 1/20 0.40
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRND Q07001 1/20 0.38

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
SCHEMBL161236 0.74 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL29959593 0.74 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL30241910 0.72 CHRNB2 (0.73) CHRNB2CHRNA4MAPTALDH1A1CHRNA1
SCHEMBL30241909 0.72 CHRNB2 (0.73) CHRNB2CHRNA4MAPTALDH1A1CHRNA1
SCHEMBL1462348 0.72 CHRNB2 (0.73) CHRNB2CHRNA4MAPTALDH1A1CHRNA1
SCHEMBL31316014 0.71 MEN1 (0.37) CHRNB2CHRNA4CYP3A4MAPTALDH1A1
SCHEMBL11544331 0.70 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL28293018 0.69 CHRNB2 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18538512 0.67 ADRB1 (0.38) DRD2DRD3MAPTALDH1A1RECQL
SCHEMBL31500101 0.64 GAA (0.53) CHRNB2CHRNA4DRD2DRD3CYP3A4

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