SCHEMBL25901418

SCHEMBL25901418

COC(=O)c1ccc(N2CC3(CCN(C(=O)OC(C)(C)C)CC3)C2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.46
HDAC1 Q13547 1/20 0.46
USP30 Q70CQ3 1/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
PARP1 P09874 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL30858342 0.88 L3MBTL1 (0.57) USP30L3MBTL1MAPTCYP3A4CYP2C19
SCHEMBL354815 0.88 L3MBTL1 (0.57) USP30L3MBTL1MAPTCYP3A4CYP2C19
SCHEMBL25313895 0.82 CYP3A4 (0.58) PKMMAPTCYP3A4CYP2C19CYP1A2
SCHEMBL30014462 0.81 ALDH1A1 (0.50) HDAC1L3MBTL1MAPTCYP2C19MEN1
SCHEMBL30796039 0.81 L3MBTL1 (0.59) USP30L3MBTL1MAPTHSD17B10MEN1
SCHEMBL29772849 0.80 CYP11B2 (0.48) HDAC2HDAC1USP30CYP3A4PARP1
SCHEMBL24628355 0.80 CYP11B2 (0.48) HDAC2HDAC1USP30CYP3A4PARP1
SCHEMBL24994418 0.79 HDAC2 (0.45) HDAC2HDAC1USP30PKMCYP11B2
SCHEMBL28615043 0.79 PKM (0.45) HDAC2HDAC1PKMMAPTCYP3A4
SCHEMBL24628132 0.79 CYP11B2 (0.50) HDAC2HDAC1USP30CYP3A4PARP1

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-2023125486-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 WO disclosed