SCHEMBL6671644

SCHEMBL6671644

N#Cc1ccc(Oc2ccc(CCN(Cc3ccccc3)C(=O)O)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 17/20 0.52
LPAR5 Q9H1C0 15/20 0.52
ACHE P22303 1/20 0.42
LPAR3 Q9UBY5 1/20 0.41

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
SCHEMBL3690872 0.88 LPAR1 (0.46) LPAR1LPAR5ACHE
SCHEMBL3690100 0.76 LPAR1 (0.48) LPAR1LPAR5ACHELPAR3
SCHEMBL5739117 0.76 LPAR1 (0.59) LPAR1LPAR5ACHE
SCHEMBL3696304 0.75 LPAR1 (0.50) LPAR1LPAR5LPAR3
SCHEMBL6540096 0.74 LPAR1 (0.54) LPAR1LPAR5
SCHEMBL6540580 0.74 LPAR1 (0.52) LPAR1LPAR5
SCHEMBL6541221 0.73 LPAR1 (0.52) LPAR1LPAR5
SCHEMBL11947088 0.73 LPAR1 (0.44) LPAR1LPAR5
SCHEMBL14026227 0.72 LPAR1 (0.49) LPAR1LPAR5LPAR3
SCHEMBL7228409 0.72 MEN1 (0.61)

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-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed