SCHEMBL7900912

SCHEMBL7900912

COCCCN1c2c(F)ccc(F)c2C(C)C1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
SCN9A Q15858 1/20 0.39
USP30 Q70CQ3 3/20 0.37
BTK Q06187 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
KAT7 O95251 1/20 0.35
KAT6A Q92794 1/20 0.35
ACKR3 P25106 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL7899044 0.93 TRPV3 (0.38) TRPV3ALOX5APFEN1SCN9AUSP30
SCHEMBL7900415 0.88 USP30 (0.40) TRPV3ALOX5APFEN1SCN9AUSP30
SCHEMBL7894370 0.85 SCN9A (0.39) TRPV3ALOX5APFEN1SCN9AUSP30
SCHEMBL7902460 0.82 MEN1 (0.40) TRPV3ALOX5APFEN1SCN9AUSP30
SCHEMBL7893412 0.79 ALOX5AP (0.39) TRPV3ALOX5APFEN1SCN9AUSP30
SCHEMBL7898714 0.79 MMP1 (0.38) ALOX5APFEN1SCN9AUSP30GPR119
SCHEMBL7899660 0.78 USP30 (0.41) TRPV3ALOX5APFEN1SCN9AUSP30
SCHEMBL7898814 0.76 HTR6 (0.39) TRPV3ALOX5APFEN1SCN9AUSP30
SCHEMBL7903239 0.76 USP30 (0.39) ALOX5APFEN1USP30GPR119HDAC4
SCHEMBL7897488 0.72 USP30 (0.42) SCN9AUSP30MEN1ALDH1A1MAPT

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