SCHEMBL28460946

SCHEMBL28460946

N#Cc1c(OC[C@H]2CCCN2Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.42
CHRNA3 P32297 4/20 0.42
FAAH O00519 4/20 0.40
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
DPP4 P27487 1/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB3 Q05901 1/20 0.35

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
SCHEMBL28461072 1.00 CHRNB4 (0.42) CHRNB4CHRNA3FAAHALDH1A1KDM4E
SCHEMBL15607421 0.97 ALDH1A1 (0.39) CHRNB4CHRNA3FAAHALDH1A1KDM4E
SCHEMBL6205627 0.87 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5240331 0.87 CHRNB4 (0.57) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL28311169 0.85 FAAH (0.43) CHRNB4CHRNA3FAAHKDM4ECYP2D6
SCHEMBL28875445 0.84 CHRNB4 (0.42) CHRNB4CHRNA3FAAHALDH1A1KDM4E
SCHEMBL620438 0.84 KDM4E (0.42) CHRNB4CHRNA3FAAHALDH1A1KDM4E
SCHEMBL28311231 0.84 CHRNB4 (0.42) CHRNB4CHRNA3FAAHALDH1A1KDM4E
SCHEMBL28875444 0.84 CHRNB4 (0.42) CHRNB4CHRNA3FAAHALDH1A1KDM4E
SCHEMBL28311232 0.84 CHRNB4 (0.42) CHRNB4CHRNA3FAAHALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 CN disclosed
CN-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 CN disclosed