SCHEMBL764261

SCHEMBL764261

COCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc2c(OC)cccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
HTR6 P50406 4/20 0.40
USP30 Q70CQ3 1/20 0.40
APLNR P35414 3/20 0.40
HPGDS O60760 1/20 0.40
TP53 P04637 4/20 0.40
MAPT P10636 3/20 0.40
BCHE P06276 2/20 0.40
ADORA2A P29274 2/20 0.40
PARP1 P09874 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL762531 0.92 TLR8 (0.44) PDE4BHTR6USP30APLNRHPGDS
SCHEMBL740574 0.90 P2RX7 (0.41) HTR6USP30HPGDSTP53MAPT
SCHEMBL740575 0.90 P2RX7 (0.41) HTR6USP30HPGDSTP53MAPT
SCHEMBL741974 0.86 KCNH2 (0.52) HPGDS
SCHEMBL741975 0.86 KCNH2 (0.52) HPGDS
SCHEMBL740791 0.85 ADORA2A (0.38) TP53MAPTADORA2ATHRBSMN1; SMN2
SCHEMBL742014 0.81 HTT (0.43) PDE4BMAPT
SCHEMBL762594 0.81 TRPV3 (0.43) HPGDSTP53MAPTALOX5APFEN1
SCHEMBL742013 0.81 HTT (0.43) PDE4BMAPT
SCHEMBL740716 0.81 CYP2D6 (0.41) USP30HPGDSTP53MAPTALOX5AP

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