SCHEMBL7903239

SCHEMBL7903239

COCCCN1c2ccccc2C(C(F)(F)F)C1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.39
ACKR3 P25106 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HTR6 P50406 3/20 0.38
BCHE P06276 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KAT7 O95251 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HPGDS O60760 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL7900415 0.81 USP30 (0.40) USP30ACKR3HTR6BCHEALOX5AP
SCHEMBL7898714 0.80 MMP1 (0.38) USP30ALOX5APFEN1ALDH1A1GPR119
SCHEMBL7898814 0.78 HTR6 (0.39) USP30ACKR3HTR6BCHEALOX5AP
SCHEMBL7894370 0.76 SCN9A (0.39) USP30ALOX5APFEN1ALDH1A1GPR119
SCHEMBL7896607 0.76 HTR6 (0.41) USP30ACKR3HTR6BCHEALDH1A1
SCHEMBL7900912 0.76 TRPV3 (0.40) USP30ACKR3JAK2JAK1ALOX5AP
SCHEMBL7893412 0.74 ALOX5AP (0.39) USP30ACKR3JAK2JAK1ALOX5AP
SCHEMBL7902460 0.74 MEN1 (0.40) USP30ACKR3JAK2JAK1ALOX5AP
SCHEMBL7899044 0.73 TRPV3 (0.38) USP30ALOX5APFEN1GPR119
SCHEMBL7896805 0.73 HTR6 (0.46) USP30ACKR3HTR6BCHEALOX5AP

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