SCHEMBL18715752

SCHEMBL18715752

CCCCC(C)c1nc(CNC2CC2)cs1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
METAP1 P53582 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FLT3 P36888 2/20 0.31
TYRO3 Q06418 2/20 0.31
MERTK Q12866 2/20 0.31
GAS6 Q14393 2/20 0.31
SMYD3 Q9H7B4 1/20 0.31
IL6 P05231 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL2736187 0.82 DRD2 (0.44) DRD2DRD4DRD3HTR2AHRH1
SCHEMBL21655052 0.69 DRD2 (0.47) DRD2DRD4DRD3HTR2AHRH1
SCHEMBL20713891 0.66 GPR84 (0.31)
SCHEMBL23734436 0.65 GPR84 (0.39)
SCHEMBL23717530 0.65 GPR84 (0.36) TLR7
SCHEMBL28958743 0.64 PDE10A (0.45) DRD2DRD4DRD3LMNAHTT
SCHEMBL11919146 0.63 DRD4 (0.38) DRD2DRD4DRD3LMNAIL6
SCHEMBL12643289 0.62 SLC6A3 (0.43) DRD2HTR2AHRH1TLR7
SCHEMBL7187137 0.62 SLC6A3 (0.40) DRD2HTR2AHRH1SMN1; SMN2TLR7
SCHEMBL15000428 0.61 KCNH2 (0.43) DRD2HTR2AHRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689353-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-05 EP disclosed
EP-3150586-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2017-04-05 EP disclosed