SCHEMBL20042701

SCHEMBL20042701

CCc1cc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3C2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 10/20 0.47
P2RX7 Q99572 1/20 0.42
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
MTOR P42345 2/20 0.35
CFTR P13569 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CHRM4 P08173 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP3K12 Q12852 1/20 0.34

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
SCHEMBL20042872 0.87 P2RX7 (0.44) PROKR1P2RX7CFTRCHRM4CNR1
SCHEMBL20043089 0.84 P2RX7 (0.52) PROKR1P2RX7CHRM4LMNASMN1; SMN2
SCHEMBL20042697 0.84 PROKR1 (0.48) PROKR1P2RX7CFTRCHRM4CNR1
SCHEMBL20042671 0.82 P2RX7 (0.45) P2RX7CNR1CNR2GPR55SMN1; SMN2
SCHEMBL20042698 0.81 MEN1 (0.43) P2RX7POLBCFTRCNR1CNR2
SCHEMBL20042668 0.81 HPGD (0.51) P2RX7LMNASMN1; SMN2
SCHEMBL20042776 0.81 P2RX7 (0.41) P2RX7MTORCFTRCNR1CNR2
SCHEMBL20042839 0.80 P2RX7 (0.45) P2RX7MTORCFTRCNR1CNR2
SCHEMBL20042743 0.80 P2RX7 (0.40) PROKR1P2RX7CYP1A2MTORCHRM4
SCHEMBL20042817 0.80 PKM (0.44) P2RX7LMNA

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