SCHEMBL7900415

SCHEMBL7900415

COCCCN1c2cccc(F)c2C(C)C1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
BTK Q06187 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
SCN9A Q15858 2/20 0.38
GPR119 Q8TDV5 3/20 0.38
ACKR3 P25106 1/20 0.37
HTR6 P50406 3/20 0.37
BCHE P06276 2/20 0.37
REN P00797 1/20 0.36
PARP1 P09874 1/20 0.36
TRPV3 Q8NET8 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
SCHEMBL7894370 0.88 SCN9A (0.39) USP30BTKALOX5APFEN1SCN9A
SCHEMBL7900912 0.88 TRPV3 (0.40) USP30BTKALOX5APFEN1SCN9A
SCHEMBL7899044 0.85 TRPV3 (0.38) USP30BTKALOX5APFEN1SCN9A
SCHEMBL7898814 0.83 HTR6 (0.39) USP30BTKALOX5APFEN1SCN9A
SCHEMBL7903239 0.81 USP30 (0.39) USP30ALOX5APFEN1GPR119ACKR3
SCHEMBL7898714 0.81 MMP1 (0.38) USP30ALOX5APFEN1SCN9AGPR119
SCHEMBL7893412 0.80 ALOX5AP (0.39) USP30BTKALOX5APFEN1SCN9A
SCHEMBL7896607 0.76 HTR6 (0.41) USP30ACKR3HTR6BCHE
SCHEMBL7902460 0.76 MEN1 (0.40) USP30BTKALOX5APFEN1SCN9A
SCHEMBL7896805 0.74 HTR6 (0.46) USP30ALOX5APFEN1SCN9AGPR119

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