SCHEMBL13634601

SCHEMBL13634601

O=C(Nc1ccc(CN2CCOCC2)cc1C(=O)N[C@@H]1CCOC1)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.43
GPR6 P46095 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.38
F10 P00742 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
ACHE P22303 1/20 0.37
PARP1 P09874 2/20 0.37
ACKR3 P25106 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AURKA O14965 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
AURKB Q96GD4 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13270419 0.90 F10 (0.40) MCHR1IRAK4F10FGFR1ACHE
SCHEMBL13634779 0.89 MCHR1 (0.43) MCHR1GPR6IRAK4UTS2RACKR3
SCHEMBL13638815 0.89 MCHR1 (0.43) MCHR1GPR6IRAK4UTS2R
SCHEMBL13634814 0.88 MCHR1 (0.39) MCHR1IRAK4F10UTS2RACHE
SCHEMBL13270762 0.88 S1PR1 (0.40) MCHR1GPR6IRAK4F10ACHE
SCHEMBL13634816 0.87 MCHR1 (0.38) MCHR1IRAK4F10ACHENPC1
SCHEMBL13634545 0.86 P2RX3 (0.41) GPR6F10
SCHEMBL13634581 0.86 ACKR3 (0.42) MCHR1IRAK4F10ACHEACKR3
SCHEMBL13634542 0.85 POLB (0.44) IRAK4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13634792 0.83 PDE10A (0.46) GPR6IRAK4

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed