SCHEMBL13634814

SCHEMBL13634814

O=C(Nc1ccc(CN2CCOCC2)cc1C(=O)NCCF)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
F10 P00742 1/20 0.39
ACHE P22303 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL13634816 0.96 MCHR1 (0.38) MCHR1F10ACHEIRAK4MAPT
SCHEMBL13270762 0.92 S1PR1 (0.40) MCHR1F10ACHEIRAK4MAPT
SCHEMBL13270419 0.90 F10 (0.40) MCHR1F10ACHEIRAK4MAPT
SCHEMBL13638813 0.90 PDCD1 (0.39) MCHR1LMNASMN1; SMN2UTS2R
SCHEMBL13634616 0.90 MCHR1 (0.38) MCHR1F10LMNAMAPK1SMN1; SMN2
SCHEMBL13634601 0.88 MCHR1 (0.43) MCHR1F10ACHEIRAK4NPC1
SCHEMBL13634542 0.88 POLB (0.44) IRAK4MAPTTSHRNPC1LMNA
SCHEMBL13634581 0.86 ACKR3 (0.42) MCHR1F10ACHEIRAK4NPC1
SCHEMBL13634607 0.86 GPR6 (0.39) F10IRAK4CYP3A4
SCHEMBL13634779 0.83 MCHR1 (0.43) MCHR1IRAK4MAPK1UTS2R

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