SCHEMBL17844232

SCHEMBL17844232

CC(C)(C)n1sc(-c2ccccc2)c(NCCCOc2cccc(O)c2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
LIPG Q9Y5X9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HRH2 P25021 3/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR84 Q9NQS5 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
SCHEMBL17844212 0.92 MTNR1A (0.42) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL17844169 0.90 SCN9A (0.36) DRD2DRD4KDM4EHDAC1HDAC2
SCHEMBL17844230 0.90 DRD2 (0.46) DRD2DRD4KDM4EHRH2GPR84
SCHEMBL5186747 0.88 PTPN2 (0.37) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL17844247 0.88 HTR1B (0.39) DRD2DRD4DRD3MTNR1AMTNR1B
SCHEMBL17844178 0.84 DRD4 (0.43) DRD2DRD4DRD3KDM4EGPR84
SCHEMBL17844246 0.84 HCRTR1 (0.39) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL17844214 0.84 CHRNB2 (0.44) KDM4ECHRNB2CHRNA4
SCHEMBL5185121 0.83 GPR84 (0.35) GPR84
SCHEMBL17844180 0.83 KDM4E (0.37) KDM4E

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed