SCHEMBL29834268

SCHEMBL29834268

Nc1cnc2c(-c3cccc(Cl)c3Cl)cccc2c1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.53
▸ PIK3CA P42336 2/20 0.42
▸ PTPN11 Q06124 3/20 0.40
▸ HTR2C P28335 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ PIK3R2 O00459 1/20 0.39

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
SCHEMBL23531192 1.00 CNR2 (0.53) CNR2PIK3CAPTPN11HTR2CCNR1
SCHEMBL31373283 0.85 CNR2 (0.47) CNR2PIK3CAHTR2CPIK3R2
SCHEMBL29834281 0.82 CNR2 (0.49) CNR2
SCHEMBL23531199 0.82 CNR2 (0.49) CNR2
SCHEMBL26167936 0.78 CNR2 (0.42) CNR2PIK3CAPIK3R2
SCHEMBL20622108 0.75 CNR2 (0.47) CNR2PTPN11HTR2CCNR1
SCHEMBL20621895 0.73 CNR2 (0.47) CNR2PTPN11HTR2CCNR1PIK3R2
SCHEMBL7282145 0.72 CNR2 (0.56) CNR2PIK3CAPTPN11CNR1
SCHEMBL29834269 0.72 KDM4E (0.54) CNR2
SCHEMBL31729239 0.72 CNR2 (0.53) CNR2PIK3CAPTPN11PIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114845994-A Insect-repellent compound comprising quinoline structure 英特维特国际股份有限公司 2022-08-02 — — CN disclosed
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