SCHEMBL30201137

SCHEMBL30201137

CCOC(=O)C1(CCc2cccc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TACR1 P25103 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.38
NOTCH1 P46531 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL25090325 1.00 GRM5 (0.44) GRM5MEN1KMT2AALDH1A1TACR1
SCHEMBL29328325 0.89 TACR1 (0.42) GRM5MEN1KMT2ATACR1POLB
SCHEMBL25090456 0.82 L3MBTL1 (0.51) MEN1KMT2AALDH1A1TACR1SMN1; SMN2
SCHEMBL16490799 0.80 MEN1 (0.47) GRM5MEN1KMT2AALDH1A1POLB
SCHEMBL30201225 0.80 ALDH1A1 (0.45) GRM5MEN1KMT2AALDH1A1TACR1
SCHEMBL25090505 0.80 ALDH1A1 (0.45) GRM5MEN1KMT2AALDH1A1TACR1
SCHEMBL4479936 0.80 LMNA (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2350223 0.77 ADORA1 (0.42) GRM5ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL5246761 0.76 CNR1 (0.39) GRM5MEN1KMT2ANPC1
SCHEMBL5246764 0.76 CNR1 (0.39) GRM5MEN1KMT2ANPC1

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-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 WO disclosed