SCHEMBL762854

SCHEMBL762854

CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc2cccc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
HPGDS O60760 2/20 0.41
TP53 P04637 3/20 0.39
POLB P06746 1/20 0.39
STS P08842 1/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPV3 Q8NET8 1/20 0.39
THRB P10828 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL740661 0.91 P2RX7 (0.41) P2RX7HPGDSTP53STSLMNA
SCHEMBL740662 0.91 P2RX7 (0.41) P2RX7HPGDSTP53STSLMNA
SCHEMBL762848 0.87 BRD4 (0.41) P2RX7HPGDSTP53POLBBRD4
SCHEMBL762590 0.86 P2RX7 (0.42) P2RX7HPGDSTP53POLBSTS
SCHEMBL741659 0.80 PARP1 (0.42) P2RX7HPGDSTP53BRD4LMNA
SCHEMBL762833 0.80 POLB (0.43) HPGDSTP53POLBJAK2JAK1
SCHEMBL740323 0.79 KCNH2 (0.42) TP53POLBMEN1KMT2AALDH1A1
SCHEMBL762531 0.78 TLR8 (0.44) P2RX7HPGDSTP53MAPTSMN1; SMN2
SCHEMBL740574 0.78 P2RX7 (0.41) P2RX7HPGDSTP53STSLMNA
SCHEMBL740575 0.78 P2RX7 (0.41) P2RX7HPGDSTP53STSLMNA

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed