SCHEMBL25045565

SCHEMBL25045565

CCP(=O)(CC)c1ccc(N2C=CN(c3c4c(nn3-c3cc(C)c(F)c(C)c3)CCN(C(=O)OC(C)(C)C)[C@H]4C)C2)cc1NC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GLP1R P43220 2/20 0.30
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL28952286 0.87 GLP1R (0.40) GLP1R
SCHEMBL24599392 0.87 GLP1R (0.40) GLP1R
SCHEMBL31323121 0.81 GLP1R (0.39) GLP1R
SCHEMBL31323116 0.77 GLP1R (0.38) GLP1R
SCHEMBL25595783 0.74 GLP1R (0.34) GLP1R
SCHEMBL31424397 0.73 GLP1R (0.41) GLP1R
SCHEMBL31692524 0.73 THRB (0.32) THRBGLP1R
SCHEMBL31424405 0.73 THRB (0.33) THRBTP53MAPTGLP1R
SCHEMBL20014821 0.73 NR1H2 (0.33) THRBTP53MAPTGLP1R
SCHEMBL31692337 0.73 THRB (0.33) THRBTP53MAPTGLP1R

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-2023016546-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2023-02-16 — — WO disclosed
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