SCHEMBL2789308

SCHEMBL2789308

COCCCn1c(C2CCCN(C(=O)OC(C)(C)C)C2)c(C)c2c(F)ccc(Cl)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SCN9A Q15858 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KAT6A Q92794 2/20 0.37
KAT5 Q92993 1/20 0.37
KAT7 O95251 2/20 0.37
KAT8 Q9H7Z6 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 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
SCHEMBL2791232 0.89 ALDH1A1 (0.34) CNR2LMNAMEN1KMT2ANPSR1
SCHEMBL7902418 0.85 LMNA (0.42) ALOX5APFEN1LMNAMEN1KMT2A
SCHEMBL2789961 0.85 ALOX5AP (0.40) TRPV3ALOX5APFEN1SCN9ALMNA
SCHEMBL7900706 0.83 ALOX5AP (0.42) TRPV3ALOX5APFEN1SCN9ALMNA
SCHEMBL7892449 0.82 CACNA1B (0.33) TRPV3SCN9A
SCHEMBL7898358 0.78 KLK5 (0.30)
SCHEMBL2792403 0.78 PROKR1 (0.49) CNR2SCN9AUSP30
SCHEMBL7901024 0.77 ALOX5AP (0.41) TRPV3ALOX5APFEN1SCN9ATP53
SCHEMBL2791259 0.77 ALOX5AP (0.43) TRPV3ALOX5APFEN1SCN9AKAT6A
SCHEMBL2789780 0.76 NMT1 (0.33) KMT2AALDH1A1

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