SCHEMBL20042869

SCHEMBL20042869

Cc1cc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3[C@H]2C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 9/20 0.41
P2RX7 Q99572 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NAMPT P43490 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CNR1 P21554 1/20 0.33
GBA1 P04062 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL20042742 0.88 PROKR1 (0.35) PROKR1P2RX7SMN1; SMN2KDM4EGBA1
SCHEMBL20042902 0.84 PROKR1 (0.41) PROKR1P2RX7SMN1; SMN2KDM4ENAMPT
SCHEMBL20042900 0.83 TACR3 (0.38) P2RX7
SCHEMBL20042898 0.83 TACR3 (0.45) P2RX7SMN1; SMN2KDM4ELMNA
SCHEMBL20042983 0.83 GPR6 (0.39) P2RX7SMN1; SMN2KDM4ELMNA
SCHEMBL20042883 0.83 GPR6 (0.39) P2RX7SMN1; SMN2KDM4ELMNA
SCHEMBL20042841 0.83 TACR2 (0.45) KDM4ELMNA
SCHEMBL20042865 0.82 TACR3 (0.42)
SCHEMBL20042982 0.82 P2RX7 (0.46) P2RX7SMN1; SMN2GBA1LMNAHSD17B10
SCHEMBL20042851 0.82 P2RX7 (0.46) P2RX7SMN1; SMN2GBA1LMNAHSD17B10

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
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed