SCHEMBL30170976

SCHEMBL30170976

COc1cc(-c2ccc(COc3cccc(C(CP(C)(=O)O)C4CC4)c3)c(CN(C(C)C)C(C)C)c2)c(F)cn1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49

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
SCHEMBL25478010 1.00 FFAR1 (0.49) FFAR1CYP3A4CYP2C8
SCHEMBL25474512 0.91 FFAR1 (0.41) FFAR1CYP3A4CYP2C8
SCHEMBL30171064 0.91 FFAR1 (0.46) FFAR1CYP3A4CYP2C8
SCHEMBL25478088 0.91 FFAR1 (0.46) FFAR1CYP3A4CYP2C8
SCHEMBL25475518 0.89 FFAR1 (0.55) FFAR1CYP3A4CYP2C8
SCHEMBL30170883 0.89 FFAR1 (0.55) FFAR1CYP3A4CYP2C8
SCHEMBL25474501 0.89 FFAR1 (0.55) FFAR1CYP3A4CYP2C8
SCHEMBL25474734 0.89 FFAR1 (0.55) FFAR1CYP3A4CYP2C8
SCHEMBL25475702 0.86 FFAR1 (0.50) FFAR1CYP3A4CYP2C8
SCHEMBL30170980 0.86 FFAR1 (0.50) FFAR1CYP3A4CYP2C8

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
EP-4110760-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2023-01-04 EP disclosed