SCHEMBL8925542

SCHEMBL8925542

CCC(=C[N+](=O)[O-])NCc1ccc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
CYP2C9 P11712 2/20 0.41
NAMPT P43490 2/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 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
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
FPR2 P25090 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
SCHEMBL8925534 1.00 FAAH (0.46) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7663609 0.84 CYP2C9 (0.44) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7752227 0.84 FAAH (0.46) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL9047024 0.83 FPR2 (0.44) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL9047032 0.83 FPR2 (0.44) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL1747766 0.82 ALDH1A1 (0.40) FAAHCYP2C9CHRNB2CHRNA4MAPT
SCHEMBL1747764 0.82 ALDH1A1 (0.40) FAAHCYP2C9CHRNB2CHRNA4MAPT
SCHEMBL1747765 0.82 ALDH1A1 (0.40) FAAHCYP2C9CHRNB2CHRNA4MAPT
SCHEMBL7664009 0.82 FAAH (0.44) FAAHCYP2C9NAMPTCHRNB2CHRNA4
SCHEMBL7664002 0.82 FAAH (0.44) FAAHCYP2C9NAMPTCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304566-A Pyridine compounds which have useful insecticidal utility NIPPON SODA CO., LTD (JP) 1994-04-19 US claimed
US-5612358-A Pyridine compouds which have useful insecticidal activity NIPPON SODA CO., LTD. (JP) 1997-03-18 US disclosed
US-5304566-A Pyridine compounds which have useful insecticidal utility NIPPON SODA CO., LTD (JP) 1994-04-19 US disclosed
WO-1991004965-A1 AMINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 1991-04-18 WO disclosed