SCHEMBL19035507

SCHEMBL19035507

CCOC(=O)CC(c1cccc(OCc2cnc(-c3cc(OC)ncc3F)c(C3=CCCC3(C)C)n2)c1)C1CC1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.85
CYP3A4 P08684 1/20 0.60
CYP2C8 P10632 1/20 0.60

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
SCHEMBL17428377 1.00 FFAR1 (0.85) FFAR1CYP3A4CYP2C8
SCHEMBL17418947 0.92 FFAR1 (1.00) FFAR1CYP3A4CYP2C8
SCHEMBL17419086 0.92 FFAR1 (1.00) FFAR1CYP3A4CYP2C8
SCHEMBL19035447 0.92 FFAR1 (0.85) FFAR1
SCHEMBL17428379 0.92 FFAR1 (0.85) FFAR1
SCHEMBL17428375 0.88 FFAR1 (0.85) FFAR1CYP3A4CYP2C8
SCHEMBL19035495 0.88 FFAR1 (0.85) FFAR1CYP3A4CYP2C8
SCHEMBL19035470 0.86 FFAR1 (0.68) FFAR1CYP3A4CYP2C8
SCHEMBL17431590 0.86 FFAR1 (0.68) FFAR1CYP3A4CYP2C8
SCHEMBL19035496 0.84 FFAR1 (0.64) 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