SCHEMBL7992772

SCHEMBL7992772

NCCNCc1cccnn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CYP1A2 P05177 1/20 0.40
VNN1 O95497 3/20 0.39
CYP2C9 P11712 1/20 0.39
NAMPT P43490 1/20 0.39
MC4R P32245 2/20 0.39
MC5R P33032 2/20 0.39
GOT1 P17174 1/20 0.38
P2RX7 Q99572 1/20 0.37
SCN8A Q9UQD0 1/20 0.35
SLC40A1 Q9NP59 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
HRH1 P35367 2/20 0.33
FERMT2 Q96AC1 1/20 0.33
MC3R P41968 1/20 0.33
CXCR4 P61073 1/20 0.33
SIRT2 Q8IXJ6 1/20 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
SCHEMBL9316382 0.81 VNN1 (0.42) CHRM2CYP1A2VNN1CYP2C9NAMPT
SCHEMBL14972477 0.81 CTDSP1 (0.41) CHRM2CYP1A2VNN1CYP2C9NAMPT
SCHEMBL12079657 0.78 SCN8A (0.46) CHRM2CYP1A2VNN1CYP2C9NAMPT
SCHEMBL12079383 0.77 CTDSP1 (0.42) CHRM2CYP1A2VNN1CYP2C9NAMPT
SCHEMBL9777416 0.76 CXCR4 (0.51) CHRM2MC4RMC5RSCN8AMC3R
SCHEMBL160154 0.76 CHRM2 (0.73) CHRM2CYP1A2SCN8AHRH1SIRT2
SCHEMBL29221868 0.75 HRH1 (0.48) CYP1A2VNN1GOT1P2RX7CTDSP1
Ammonia Solution, Strong SCHEMBL28870671 0.74 CHRM2 (0.71) CHRM2CYP1A2SCN8AHRH1SIRT2
SCHEMBL28920982 0.74 CHRM2 (0.71) CHRM2CYP1A2SCN8AHRH1SIRT2
SCHEMBL2305111 0.74

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 28 patents — showing the first 20. 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-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-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
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed