SCHEMBL7685356

SCHEMBL7685356

CN(C)C(=C[N+](=O)[O-])N(CCF)Cc1ccc(Cl)nc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP6 P55212 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
SCHEMBL7657443 0.87 CHRNB2 (0.38) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL8064946 0.87 MMP2 (0.34)
SCHEMBL7672435 0.85 CHRNB2 (0.41) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7753165 0.85 CHRNB2 (0.41) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL8703934 0.83 CHRNB2 (0.36) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7667088 0.81 CHRNB2 (0.38) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL8070643 0.79 MAPT (0.34) MAPTMEN1KMT2A
SCHEMBL7657366 0.78 CHRNB2 (0.36) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7668100 0.77 CHRNB2 (0.39) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7665606 0.76 ALDH1A1 (0.34) ALDH1A1

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 11 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
US-5935981-A INSECTICIDAL/MITICIDAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-10 US disclosed
US-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 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
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed