SCHEMBL4733765

SCHEMBL4733765

CC1CC(C)CN(c2ccc(CN(C(=O)c3ccsc3)c3ccc(F)cc3)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
MLNR O43193 6/20 0.36
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
PDK1 Q15118 4/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
CXCR2 P25025 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 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
SCHEMBL4738700 0.85 MAPK14 (0.39) CNR2MLNRMAPK14ALDH1A1KDM4E
SCHEMBL4737955 0.85 OPRM1 (0.43) MAPK14ALDH1A1KDM4ETSHRPDK1
SCHEMBL4734783 0.84 OPRM1 (0.40) MAPK14ALDH1A1KDM4ETSHRHTR1A
SCHEMBL4734903 0.82 KDM4E (0.41) MAPK14ALDH1A1KDM4ETSHRHTR1A
SCHEMBL4786222 0.82 KDM4E (0.49) MAPK14ALDH1A1KDM4ETSHRHTR1A
SCHEMBL4734158 0.82 DRD4 (0.43) MAPK14ALDH1A1KDM4ETSHRHTR1A
SCHEMBL4738192 0.81 HRH3 (0.42) MAPK14TSHROPRM1OPRK1
SCHEMBL4736796 0.80 OPRM1 (0.49) ALDH1A1KDM4ETSHRHTR1ADRD2
SCHEMBL4739217 0.79 MEN1 (0.42) MAPK14ALDH1A1KDM4ETSHRCXCR2
SCHEMBL4738789 0.79 OPRM1 (0.49) ALDH1A1KDM4ETSHRHTR1ADRD2

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed