SCHEMBL12989591

SCHEMBL12989591

CC(OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)c(F)c2)cnn1C)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.84
LPAR3 Q9UBY5 10/20 0.84
HRH1 P35367 1/20 0.55

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
SCHEMBL13195906 1.00 LPAR1 (0.84) LPAR1LPAR3HRH1
SCHEMBL14710921 0.94 LPAR1 (0.74) LPAR1LPAR3HRH1
SCHEMBL13195375 0.93 LPAR1 (0.81) LPAR1LPAR3HRH1
SCHEMBL14709195 0.93 LPAR1 (0.82) LPAR1LPAR3HRH1
SCHEMBL17077064 0.92 LPAR1 (0.98) LPAR1LPAR3HRH1
SCHEMBL17077063 0.92 LPAR1 (0.98) LPAR1LPAR3HRH1
SCHEMBL12989672 0.92 LPAR1 (1.00) LPAR1LPAR3HRH1
SCHEMBL12989395 0.92 LPAR1 (1.00) LPAR1LPAR3HRH1
SCHEMBL12989963 0.91 LPAR1 (0.85) LPAR1LPAR3HRH1
SCHEMBL12989447 0.91 LPAR1 (0.98) LPAR1LPAR3HRH1

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-2012138648-A1 COMPOSITIONS AND METHODS FOR MODULATING LPA RECEPTORS IRM LLC (BM) 2012-10-11 WO disclosed