SCHEMBL20042902

SCHEMBL20042902

Cc1cc(C(=O)N2Cc3c(nc(C)nc3N3CCC3)C2C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 9/20 0.41
CNR1 P21554 4/20 0.34
CNR2 P34972 3/20 0.33
GPR55 Q9Y2T6 2/20 0.33
P2RX7 Q99572 2/20 0.33
GBA1 P04062 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL20042869 0.84 PROKR1 (0.41) PROKR1CNR1P2RX7GBA1SMN1; SMN2
SCHEMBL20042926 0.84 HPGD (0.40) CNR1CNR2GPR55P2RX7LMNA
SCHEMBL20042973 0.83 GPR6 (0.39) CNR1CNR2GPR55P2RX7LMNA
SCHEMBL20042798 0.82 TACR3 (0.42) P2RX7GBA1SMN1; SMN2LMNAHSD17B10
SCHEMBL20043038 0.81 TACR3 (0.47) P2RX7
SCHEMBL20042872 0.79 P2RX7 (0.44) PROKR1CNR1CNR2GPR55P2RX7
SCHEMBL20042925 0.72 PDE10A (0.36) SMN1; SMN2LMNAHSD17B10
SCHEMBL20042742 0.71 PROKR1 (0.35) PROKR1P2RX7GBA1SMN1; SMN2HSD17B10
SCHEMBL21212469 0.69 GAA (0.57) PROKR1LMNA
SCHEMBL12294710 0.69 PROKR1 (0.63) PROKR1SMN1; SMN2HSD17B10KDM4E

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