SCHEMBL13634607

SCHEMBL13634607

N#Cc1ccc(OC2CCN(c3nc(C(=O)Nc4ccc(CN5CCOCC5)cc4C(=O)NCCF)co3)CC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 5/20 0.39
CHRM4 P08173 3/20 0.38
PRKAA2 P54646 6/20 0.37
PRKAB2 O43741 4/20 0.37
PRKAG1 P54619 4/20 0.37
PRKAA1 Q13131 4/20 0.37
PRKAG3 Q9UGI9 4/20 0.37
PRKAG2 Q9UGJ0 4/20 0.37
PRKAB1 Q9Y478 4/20 0.37
CYP3A4 P08684 1/20 0.37
F10 P00742 1/20 0.37
CHEK1 O14757 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
P2RX3 P56373 1/20 0.35
CSF1R P07333 2/20 0.35
KIT P10721 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
SCHEMBL13634776 0.93 IP6K1 (0.41) GPR6CHRM4PRKAA2PRKAB2PRKAG1
SCHEMBL13634777 0.91 P2RX3 (0.44) GPR6PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL13634781 0.91 GPR6 (0.40) GPR6CHRM4PRKAA2PRKAB2PRKAG1
SCHEMBL13634545 0.90 P2RX3 (0.41) GPR6PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL13162688 0.86 P2RX3 (0.42) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13634814 0.86 MCHR1 (0.39) CYP3A4F10IRAK4
SCHEMBL13634816 0.82 MCHR1 (0.38) CYP3A4F10IRAK4
SCHEMBL13634546 0.81 GPR6 (0.40) GPR6
SCHEMBL13270762 0.78 S1PR1 (0.40) GPR6F10IRAK4
SCHEMBL13634673 0.77 PIM1 (0.43) GPR6IRAK4P2RX3

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