SCHEMBL7668662

SCHEMBL7668662

CNC(=C[N+](=O)[O-])N(Cc1ccc(Cl)nc1)CC(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP6 P55212 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
Nitenpyram SCHEMBL29388004 0.87 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
Nitenpyram SCHEMBL25789 0.87 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
Nitenpyram SCHEMBL31030931 0.87 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
Nitenpyram SCHEMBL25788 0.87 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
SCHEMBL7668848 0.87 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
Nitenpyram SCHEMBL13448342 0.87 SMN1; SMN2 (0.40) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
SCHEMBL8703934 0.86 CHRNB2 (0.36) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
SCHEMBL7660190 0.85 CHRNB2 (0.36) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
Nitenpyram SCHEMBL28400760 0.85 SMN1; SMN2 (0.39) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4
SCHEMBL7753555 0.85 CHRNB2 (0.36) ALDH1A1CHRNB2CHRNA4SMN1; SMN2CYP3A4

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-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-0496106-B1 Stable agrochemical compositions TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-12-20 EP disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5230893-A Pesticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-27 US 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
EP-0496106-A1 Stable agrochemical compositions Takeda Chemical Industries, Ltd. (JP) 1992-07-29 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed