SCHEMBL2792273

SCHEMBL2792273

COCCCn1c(C2CCCN(C(=O)OC(C)(C)C)C2)c(C(F)(F)F)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
PER2 O15055 1/20 0.42
CRY1 Q16526 1/20 0.42
CRY2 Q49AN0 1/20 0.42
HTR6 P50406 4/20 0.40
BCHE P06276 2/20 0.40
ACKR3 P25106 1/20 0.40
SCN9A Q15858 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
USP30 Q70CQ3 1/20 0.39
HPGDS O60760 1/20 0.39
SGMS1 Q86VZ5 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
KDM1A O60341 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PROKR1 Q8TCW9 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
SCHEMBL2789345 0.89 CNR2 (0.47) CNR2PER2CRY1CRY2PROKR1
SCHEMBL2792403 0.89 PROKR1 (0.49) CNR2PER2CRY1CRY2HTR6
SCHEMBL2789961 0.80 ALOX5AP (0.40) HTR6BCHEACKR3SCN9AALOX5AP
SCHEMBL2789214 0.79 CNR2 (0.44) CNR2HTR6BCHEACKR3SCN9A
SCHEMBL7900706 0.79 ALOX5AP (0.42) HTR6BCHEACKR3SCN9AALOX5AP
SCHEMBL2788969 0.79 SCN9A (0.41) CNR2SCN9APROKR1
SCHEMBL741975 0.78 KCNH2 (0.52) HPGDSCHRM1
SCHEMBL741974 0.78 KCNH2 (0.52) HPGDSCHRM1
SCHEMBL7901024 0.77 ALOX5AP (0.41) HTR6BCHEACKR3SCN9AALOX5AP
SCHEMBL7902418 0.77 LMNA (0.42) HTR6BCHEACKR3ALOX5APFEN1

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed