SCHEMBL2792403

SCHEMBL2792403

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.49
CNR2 P34972 3/20 0.46
HTR6 P50406 4/20 0.42
BCHE P06276 2/20 0.42
ACKR3 P25106 1/20 0.42
PER2 O15055 1/20 0.42
CRY1 Q16526 1/20 0.42
CRY2 Q49AN0 1/20 0.42
SCN9A Q15858 1/20 0.41
USP30 Q70CQ3 1/20 0.41
HPGDS O60760 1/20 0.40
KDM1A O60341 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL2792273 0.89 CNR2 (0.44) PROKR1CNR2HTR6BCHEACKR3
SCHEMBL2788969 0.88 SCN9A (0.41) PROKR1CNR2SCN9A
SCHEMBL7900706 0.86 ALOX5AP (0.42) PROKR1HTR6BCHEACKR3SCN9A
SCHEMBL2789961 0.86 ALOX5AP (0.40) HTR6BCHEACKR3SCN9AUSP30
SCHEMBL7902418 0.86 LMNA (0.42) HTR6BCHEACKR3USP30
SCHEMBL741975 0.80 KCNH2 (0.52) HPGDSCHRM1
SCHEMBL741974 0.80 KCNH2 (0.52) HPGDSCHRM1
SCHEMBL7891211 0.80 PROKR1 (0.42) PROKR1CNR2PER2CRY1CRY2
SCHEMBL7899697 0.80 PROKR1 (0.39) PROKR1CNR2PER2CRY1CRY2
SCHEMBL2789214 0.80 CNR2 (0.44) CNR2HTR6BCHEACKR3SCN9A

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