SCHEMBL17844246

SCHEMBL17844246

CC(C)(C)n1sc(-c2ccccc2)c(NCCCOc2ccc(F)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
POLB P06746 2/20 0.37
CACNA1B Q00975 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR7 P34969 3/20 0.35
ADRA1D P25100 2/20 0.35
HTR2C P28335 2/20 0.35
ADRA1A P35348 2/20 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
SCHEMBL17844236 0.91 DRD2 (0.44) DRD2DRD4DRD3POLBRAB9A
SCHEMBL17844178 0.90 DRD4 (0.43) DRD2DRD4DRD3POLBKDM4E
SCHEMBL5186747 0.89 PTPN2 (0.37) DRD2DRD4DRD3POLBNPC1
SCHEMBL17844247 0.89 HTR1B (0.39) DRD2DRD4DRD3POLBNPC1
SCHEMBL17844169 0.89 SCN9A (0.36) HCRTR1HCRTR2DRD2DRD4POLB
SCHEMBL17844180 0.88 KDM4E (0.37) POLBNPC1RAB9AKDM4EMEN1
SCHEMBL5184340 0.88 GBA1 (0.35) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL17844223 0.86 DRD2 (0.41) DRD2DRD4DRD3POLBNPC1
SCHEMBL17844232 0.84 DRD2 (0.44) DRD2DRD4DRD3KDM4EADRA1D
SCHEMBL17844244 0.84 MTNR1A (0.40) NPC1KDM4EALDH1A1LMNAADRA1D

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