SCHEMBL25430879

SCHEMBL25430879

CNC(=O)C1(N)CCCCC1C(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.44
SLC6A3 Q01959 5/20 0.41
METAP2 P50579 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
METAP1 P53582 1/20 0.37
UGT2B7 P16662 2/20 0.37
UGT2B17 O75795 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
DHFR P00374 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
SCHEMBL4862036 0.72 KMT2A (0.39) NR3C1SLC6A3LMNACYP3A4TSHR
SCHEMBL29038905 0.66 ATM (0.42) LMNA
SCHEMBL4754008 0.62 MAPT (0.61) L3MBTL1LMNA
SCHEMBL3487513 0.62 MAPT (0.61) L3MBTL1LMNA
SCHEMBL7055028 0.62 MAPT (0.61) L3MBTL1LMNA
SCHEMBL7053572 0.62 MAPT (0.61) L3MBTL1LMNA
SCHEMBL4754009 0.62 MAPT (0.61) L3MBTL1LMNA
SCHEMBL14292320 0.62 MAPT (0.61) L3MBTL1LMNA
SCHEMBL4558510 0.62 OPRL1 (0.39) SLC6A3LMNACYP3A4SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2710013 0.62 MAOB (0.39)

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-2023147531-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-03 WO disclosed