SCHEMBL7669223

SCHEMBL7669223

CN/C(=C\[N+](=O)[O-])N(C)CCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
HTR2C P28335 1/20 0.40
NAMPT P43490 2/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
RIPK1 Q13546 1/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TBXAS1 P24557 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7669230 1.00 CHRNA7 (0.49) CHRNA7HTR2CNAMPTCHRNB2CHRNA4
SCHEMBL9718704 0.88 RIPK1 (0.47) HTR2CNAMPTCHRNB2CHRNA4RIPK1
SCHEMBL7669212 0.88 RIPK1 (0.47) HTR2CNAMPTCHRNB2CHRNA4RIPK1
SCHEMBL7665586 0.81 CHRNB2 (0.44) CHRNA7NAMPTCHRNB2CHRNA4RIPK1
SCHEMBL7670861 0.79 CHRNB2 (0.41) CHRNB2CHRNA4RIPK1HTTLMNA
SCHEMBL7670029 0.79 KMT2A (0.48) ALDH1A1SMN1; SMN2
SCHEMBL7669029 0.79 CHRNB2 (0.46) CHRNB2CHRNA4RIPK1HTTLMNA
SCHEMBL7669280 0.78 CHRNB2 (0.40) CHRNB2CHRNA4RIPK1HTTLMNA
SCHEMBL9800218 0.77 FAAH (0.47) NAMPTHTTLMNANFKB1NFKB2
SCHEMBL9800223 0.77 FAAH (0.47) NAMPTHTTLMNANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407248-B1 INSECTICIDES, MITICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
US-6124297-A COMBATTING INSECTS OR MITES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
EP-0529680-B1 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-13 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed