SCHEMBL17560326

SCHEMBL17560326

COc1cccc(N=C(N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
TAAR1 Q96RJ0 1/20 0.54
SIGMAR1 Q99720 1/20 0.48
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
PARP1 P09874 1/20 0.42
CRHR1 P34998 3/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
IDO1 P14902 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LHCGR P22888 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7847265 0.84 KDM4E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7847263 0.84 KDM4E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7842034 0.79 PPARG (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7842030 0.79 PPARG (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7846907 0.74 TRPV1 (0.35) SIGMAR1PDK1PDK2PDK3PDK4
SCHEMBL7842304 0.74 TRPV1 (0.37) LHCGR
SCHEMBL7842303 0.74 TRPV1 (0.37) LHCGR
SCHEMBL7846731 0.74 CNR1 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17560318 0.74 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7846656 0.73 ALOX5AP (0.38) PRSS1LHCGRNPC1MAPTRAB9A

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-3189061-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK Pierre Fabre Médicament (FR) 2017-07-12 EP disclosed
WO-2016034637-A1 DERIVATIVES OF MACROCYCLIC N-ARYL-TRICYCLOPYRIMIDINE-2-AMINE POLYETHERS AS INHIBITORS OF FTL3 AND JAK PIERRE FABRE MEDICAMENT (FR) 2016-03-10 WO disclosed