SCHEMBL13634779

SCHEMBL13634779

C[C@H]1CCN(Cc2ccc(NC(=O)c3coc(N4CCC(Oc5ncccn5)CC4)n3)c(C(=O)NC3CCOCC3)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.43
UTS2R Q9UKP6 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
ACKR3 P25106 2/20 0.36
GPR6 P46095 1/20 0.35
MAPK1 P28482 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
SCHEMBL13638815 0.94 MCHR1 (0.43) MCHR1UTS2RIRAK4GPR6
SCHEMBL13634616 0.89 MCHR1 (0.38) MCHR1UTS2RACKR3GPR6MAPK1
SCHEMBL13634601 0.89 MCHR1 (0.43) MCHR1UTS2RIRAK4ACKR3GPR6
SCHEMBL13270419 0.85 F10 (0.40) MCHR1IRAK4MAPK1
SCHEMBL13270762 0.84 S1PR1 (0.40) MCHR1IRAK4GPR6MAPK1
SCHEMBL13638812 0.84 GPR6 (0.39) MCHR1IRAK4GPR6
SCHEMBL13634670 0.84 PARP1 (0.38) MCHR1IRAK4GPR6
SCHEMBL13634814 0.83 MCHR1 (0.39) MCHR1UTS2RIRAK4MAPK1
SCHEMBL13638813 0.82 PDCD1 (0.39) MCHR1UTS2RACKR3GPR6
SCHEMBL13634816 0.82 MCHR1 (0.38) MCHR1IRAK4MAPK1

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