SCHEMBL27477980

SCHEMBL27477980

C[C@H]1C[C@@H](Oc2ccnc(COc3ccc(Cl)cc3F)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ GPR119 Q8TDV5 4/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CYP3A5 P20815 2/20 0.36
▸ LNPEP Q9UIQ6 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ GPR6 P46095 1/20 0.34

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
SCHEMBL30742673 0.91 USP30 (0.37) USP30HTR2CSLC6A4HTR2BGPR119
SCHEMBL27478001 0.91 USP30 (0.37) USP30HTR2CSLC6A4HTR2BGPR119
SCHEMBL29826311 0.83 LNPEP (0.42) GPR119LNPEP
SCHEMBL29826215 0.79 CYP2C9 (0.44) GPR119LNPEP
SCHEMBL29826118 0.78 CACNB4 (0.44) GPR119LNPEP
SCHEMBL29826391 0.77 CACNB4 (0.44) GPR119LNPEP
SCHEMBL29826647 0.76 GPR119 (0.47) GPR119LNPEP
SCHEMBL15538058 0.76 GPR119 (0.46) USP30GPR119ALDH1A1
SCHEMBL30745378 0.76 SCN9A (0.39) GPR119LNPEPALDH1A1SCN9AGRM5
SCHEMBL29826839 0.76 PDE4A (0.43) GPR119LNPEP

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-2024026338-A1 N-HETEROCYLIC GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
Send feedback