SCHEMBL7901024

SCHEMBL7901024

CCc1c(C2CCCN(C(=O)OC(C)(C)C)C2)n(CCCOC)c2c(F)cccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
GPR119 Q8TDV5 3/20 0.41
BRD4 O60885 1/20 0.39
ACKR3 P25106 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SCN9A Q15858 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TP53 P04637 1/20 0.36
BCHE P06276 1/20 0.36
HTR6 P50406 1/20 0.36
POLB P06746 1/20 0.36
HPGDS O60760 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
SCHEMBL7900706 0.90 ALOX5AP (0.42) ALOX5APFEN1GPR119BRD4ACKR3
SCHEMBL7901020 0.81 TRPV3 (0.41) ALOX5APFEN1GPR119ACKR3TRPV3
SCHEMBL2791259 0.80 ALOX5AP (0.43) ALOX5APFEN1GPR119TRPV3USP30
SCHEMBL2789961 0.80 ALOX5AP (0.40) ALOX5APFEN1GPR119ACKR3TRPV3
SCHEMBL7902418 0.80 LMNA (0.42) ALOX5APFEN1BRD4ACKR3USP30
SCHEMBL2789214 0.79 CNR2 (0.44) ALOX5APFEN1GPR119ACKR3TRPV3
SCHEMBL2792403 0.78 PROKR1 (0.49) ACKR3USP30SCN9ABCHEHTR6
SCHEMBL2792273 0.77 CNR2 (0.44) ALOX5APFEN1ACKR3USP30SCN9A
SCHEMBL2789308 0.77 TRPV3 (0.40) ALOX5APFEN1TRPV3USP30SCN9A
SCHEMBL2789844 0.76 SSTR4 (0.35)

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