SCHEMBL20042697

SCHEMBL20042697

COc1cc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3C2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 7/20 0.48
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
P2RX7 Q99572 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.40
PDE2A O00408 1/20 0.40
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
NR4A1 P22736 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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) PROKR1CHRM4P2RX7HSD17B10LMNA
SCHEMBL20043089 0.84 P2RX7 (0.52) PROKR1CHRM2CHRM4P2RX7HSD17B10
SCHEMBL20042701 0.84 PROKR1 (0.47) PROKR1CHRM4P2RX7HSD17B10LMNA
SCHEMBL20042668 0.83 HPGD (0.51) P2RX7HPGDKDM4ELMNASMN1; SMN2
SCHEMBL20042817 0.82 PKM (0.44) P2RX7HPGDKDM4ELMNAALDH1A1
SCHEMBL20042680 0.82 GPR6 (0.44) P2RX7HPGDTSHRKDM4ECASP1
SCHEMBL20042671 0.82 P2RX7 (0.45) P2RX7HPGDTSHRSMN1; SMN2CNR1
SCHEMBL31614823 0.81 CHRM4 (0.52) PROKR1CHRM2CHRM4SCN10ATSHR
SCHEMBL20042776 0.81 P2RX7 (0.41) P2RX7TSHRKDM4ELMNANR4A1
SCHEMBL20042700 0.80 TSHR (0.40) P2RX7HPGDTSHRKDM4ECASP1

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