SCHEMBL13638813

SCHEMBL13638813

CO[C@H]1CCN(Cc2ccc(NC(=O)c3coc(N4CCC(Oc5ncccn5)CC4)n3)c(C(=O)NCCF)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MCHR1 Q99705 3/20 0.38
GRM2 Q14416 1/20 0.36
LTA4H P09960 1/20 0.35
GPR6 P46095 2/20 0.34
PIM2 Q9P1W9 1/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
ACKR3 P25106 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL13634616 0.93 MCHR1 (0.38) MCHR1GPR6KDM4ELMNASMN1; SMN2
SCHEMBL13634814 0.90 MCHR1 (0.39) MCHR1LMNASMN1; SMN2UTS2R
SCHEMBL13638815 0.89 MCHR1 (0.43) PDCD1CD274MCHR1GPR6UTS2R
SCHEMBL13634816 0.86 MCHR1 (0.38) MCHR1LMNASMN1; SMN2
SCHEMBL13270762 0.83 S1PR1 (0.40) MCHR1GPR6LMNASMN1; SMN2
SCHEMBL13634779 0.82 MCHR1 (0.43) MCHR1GPR6UTS2RACKR3
SCHEMBL13270419 0.81 F10 (0.40) MCHR1LMNASMN1; SMN2
SCHEMBL13634601 0.79 MCHR1 (0.43) MCHR1GPR6KDM4ELMNASMN1; SMN2
SCHEMBL13634542 0.78 POLB (0.44) LTA4HKDM4ELMNASMN1; SMN2
SCHEMBL13638938 0.77 MCHR1 (0.37) PDCD1CD274MCHR1GPR6SCD

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