SCHEMBL7971902

SCHEMBL7971902

CC(C)(C)NC(=O)c1cccc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
CTSA P10619 4/20 0.45
POLB P06746 1/20 0.43
ANO1 Q5XXA6 2/20 0.43
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GRM5 P41594 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL18157899 0.87 POLB (0.50) CNR2POLBALDH1A1GRM5LMNA
SCHEMBL6415338 0.84 CNR2 (0.51) CNR2CTSACNR1
SCHEMBL18824644 0.80 BRD4 (0.54) CTSAPOLBALDH1A1GRM5LMNA
SCHEMBL2768873 0.79 GRM5 (0.55) CNR2CTSAPOLBANO1CNR1
SCHEMBL25676424 0.77 CBLB (0.41) CNR2POLBANO1CNR1ALDH1A1
SCHEMBL7347715 0.77 CTSA (0.47) CNR2CTSAALDH1A1LMNAL3MBTL1
SCHEMBL15114396 0.77 TSHR (0.44) CTSAPOLBALDH1A1GRM5
SCHEMBL2552908 0.77 P2RX7 (0.62) CTSAPOLBALDH1A1LMNAL3MBTL1
SCHEMBL29643901 0.77 TSHR (0.44) CTSAPOLBALDH1A1GRM5
SCHEMBL31138275 0.76 ALDH1A1 (0.58) CTSAPOLBALDH1A1GRM5

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
WO-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed