SCHEMBL9752682

SCHEMBL9752682

CCC(N)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.42
TAAR1 Q96RJ0 2/20 0.38
KCNN4 O15554 2/20 0.36
MAPK1 P28482 2/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL16149381 0.78 LMNA (0.38) KIF11TAAR1MAPK1KDM4ELMNA
SCHEMBL28227393 0.78 TRPA1 (0.40) KIF11MAPK1KDM4ELMNAGRIN1
SCHEMBL16148829 0.78 LMNA (0.38) KIF11TAAR1MAPK1KDM4ELMNA
SCHEMBL16551069 0.76 LMNA (0.42) KIF11KCNN4MAPK1LMNAGRIN1
SCHEMBL8077580 0.76 KIF11 (0.38) KIF11TAAR1KCNN4MAPK1LMNA
SCHEMBL4421575 0.75 KIF11 (0.45) KIF11LMNA
SCHEMBL16062155 0.72 ALDH1A1 (0.41) KIF11KCNN4MAPK1KDM4ELMNA
SCHEMBL10419034 0.72 CSNK1E (0.39) KIF11
SCHEMBL9668861 0.72 KIF11 (0.47) KIF11TAAR1KCNN4MAPK1
SCHEMBL9801981 0.72 TAAR1 (0.38) KIF11TAAR1KCNN4MAPK1EPHX1

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-1991010648-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed