SCHEMBL13634801

SCHEMBL13634801

O=C(Nc1ccncc1C(=O)NCC1CC1)c1coc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
CNR2 P34972 4/20 0.46
PAICS P22234 1/20 0.36
P2RX7 Q99572 1/20 0.36
GPR6 P46095 7/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2J2 P51589 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PIM1 P11309 1/20 0.35
MAPT P10636 1/20 0.35
GSK3A P49840 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 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
SCHEMBL13634507 0.95 CNR2 (0.43) CNR1CNR2CYP2C9CYP2C19IRAK4
SCHEMBL13634676 0.90 GPR6 (0.42) CNR1CNR2PAICSGPR6CYP2C9
SCHEMBL13634512 0.89 SCD (0.39) CNR1CNR2PAICSGPR6CYP2C9
SCHEMBL13634596 0.88 GPR6 (0.38) CNR1CNR2PAICSGPR6CYP2C19
SCHEMBL13638871 0.88 TGFBR1 (0.36) CNR1CNR2PAICSGPR6CYP2C9
SCHEMBL13634831 0.87 PDE10A (0.39) CNR1CNR2PAICSGPR6CYP2C9
SCHEMBL13634835 0.86 PIM1 (0.42) CNR1CNR2PAICSGPR6CYP2C9
SCHEMBL13634580 0.86 GPR6 (0.36) PAICSGPR6MAPT
SCHEMBL13638903 0.86 PDE10A (0.42) CNR1CNR2PAICSGPR6
SCHEMBL13634511 0.85 NAMPT (0.37) PAICSGPR6

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