SCHEMBL7664002

SCHEMBL7664002

CN/C(=C\[N+](=O)[O-])NCc1ccc(Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
CYP2C9 P11712 2/20 0.41
NAMPT P43490 2/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CASP6 P55212 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 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
SCHEMBL7664009 1.00 FAAH (0.44) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7663609 0.92 CYP2C9 (0.44) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7752227 0.89 FAAH (0.46) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7668141 0.88 NAMPT (0.42) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL8069181 0.88 MEN1 (0.42) CYP2C9CHRNB2CHRNA4MAPTSMN1; SMN2
SCHEMBL7668111 0.87 ALDH1A1 (0.47) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7668113 0.87 ALDH1A1 (0.47) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL9045819 0.86 FAAH (0.42) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7662087 0.86 FAAH (0.42) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL8066452 0.85 QPCTL (0.41) FAAHCYP2C9CHRNB2CHRNA4MAPT

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 16 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-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-5225423-A BUTENONE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS PESTICIDES SHELL RESEARCH LIMITED (GB) 1993-07-06 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-0425030-A2 Butenone compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-05-02 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed