SCHEMBL30201225

SCHEMBL30201225

CCOC(=O)C1(CCc2cccc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)CCC1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TACR1 P25103 2/20 0.40
NOTCH1 P46531 1/20 0.40
GRM5 P41594 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
EPHX2 P34913 1/20 0.38
TGFBR1 P36897 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL25090505 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TACR1NOTCH1GRM5
SCHEMBL29328327 0.90 TACR1 (0.42) ALDH1A1SMN1; SMN2TACR1NOTCH1SMYD3
SCHEMBL30201213 0.90 TACR1 (0.44) ALDH1A1SMN1; SMN2TACR1NOTCH1SMYD3
SCHEMBL25090235 0.90 TACR1 (0.44) ALDH1A1SMN1; SMN2TACR1NOTCH1SMYD3
SCHEMBL30201048 0.84 TACR1 (0.43) ALDH1A1SMN1; SMN2TACR1NOTCH1SMYD3
SCHEMBL25090209 0.84 TACR1 (0.43) ALDH1A1SMN1; SMN2TACR1NOTCH1SMYD3
SCHEMBL25090396 0.82 TACR1 (0.42) TACR1NOTCH1SMYD3MEN1KMT2A
SCHEMBL25090397 0.82 TACR1 (0.42) TACR1NOTCH1SMYD3MEN1KMT2A
SCHEMBL25090398 0.82 TACR1 (0.42) TACR1NOTCH1SMYD3MEN1KMT2A
SCHEMBL30201153 0.82 TACR1 (0.42) TACR1NOTCH1SMYD3MEN1KMT2A

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