SCHEMBL25154308

SCHEMBL25154308

C[C@@H]1[C@@H](CC(=O)O)N(C)CCN1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.45
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.41
CHRM1 P11229 1/20 0.39
PPARG P37231 1/20 0.37
ADAMTS5 Q9UNA0 3/20 0.35

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
SCHEMBL25154448 1.00 FFAR1 (0.45) FFAR1MAPK1HTTCHRM1PPARG
SCHEMBL25154332 1.00 FFAR1 (0.45) FFAR1MAPK1HTTCHRM1PPARG
SCHEMBL25154569 1.00 FFAR1 (0.45) FFAR1MAPK1HTTCHRM1PPARG
SCHEMBL25154442 1.00 FFAR1 (0.45) FFAR1MAPK1HTTCHRM1PPARG
SCHEMBL25154729 0.89 FFAR1 (0.51) FFAR1MAPK1HTTPPARG
SCHEMBL25154451 0.89 FFAR1 (0.51) FFAR1MAPK1HTTPPARG
SCHEMBL25154278 0.89 FFAR1 (0.51) FFAR1MAPK1HTTPPARG
SCHEMBL25154259 0.89 FFAR1 (0.51) FFAR1MAPK1HTTPPARG
SCHEMBL25154600 0.88 FFAR1 (0.48) FFAR1MAPK1HTTCHRM1PPARG
SCHEMBL25154457 0.88 FFAR1 (0.48) FFAR1MAPK1HTTCHRM1PPARG

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-2023064768-A1 G-PROTEIN-COUPLED RECEPTOR REGULATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-04-20 WO disclosed