SCHEMBL19035522

SCHEMBL19035522

COc1cc(-c2ncc(COc3cccc(C(CC(=O)O)C4CC4)c3)nc2OCC2CC2)c(F)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 1.00
CYP3A4 P08684 1/20 0.75
CYP2C8 P10632 1/20 0.75

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
SCHEMBL17418795 1.00 FFAR1 (1.00) FFAR1CYP3A4CYP2C8
SCHEMBL17428394 0.92 FFAR1 (0.85) FFAR1CYP3A4CYP2C8
SCHEMBL19035465 0.91 FFAR1 (1.00) FFAR1CYP3A4CYP2C8
SCHEMBL19035510 0.91 FFAR1 (1.00) FFAR1CYP3A4CYP2C8
SCHEMBL17418796 0.91 FFAR1 (1.00) FFAR1CYP3A4CYP2C8
SCHEMBL17419073 0.91 FFAR1 (1.00) FFAR1CYP3A4CYP2C8
SCHEMBL17431592 0.91 FFAR1 (0.84) FFAR1CYP3A4CYP2C8
SCHEMBL19035484 0.90 FFAR1 (1.00) FFAR1
SCHEMBL17418958 0.90 FFAR1 (1.00) FFAR1
SCHEMBL17428364 0.90 FFAR1 (0.85) FFAR1

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
US-9688642-B2 Substituted pyrazines as GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed