SCHEMBL22729893

SCHEMBL22729893

C[C@@H](OC(=O)Nc1c(F)cnn1-c1ccc(-c2ccc(C3CC3)cc2Cl)cc1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.55
LPAR3 Q9UBY5 5/20 0.42
ENPP2 Q13822 4/20 0.39
LPAR2 Q9HBW0 1/20 0.36
SMURF2 Q9HAU4 1/20 0.35
SMURF1 Q9HCE7 1/20 0.35

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
SCHEMBL22729894 1.00 LPAR1 (0.55) LPAR1LPAR3ENPP2LPAR2SMURF2
SCHEMBL16026397 0.95 LPAR1 (0.55) LPAR1LPAR3ENPP2LPAR2
SCHEMBL16026395 0.95 LPAR1 (0.55) LPAR1LPAR3ENPP2LPAR2
SCHEMBL22729874 0.94 LPAR1 (0.53) LPAR1LPAR3ENPP2LPAR2
SCHEMBL22729875 0.94 LPAR1 (0.53) LPAR1LPAR3ENPP2LPAR2
SCHEMBL22729884 0.92 LPAR1 (0.55) LPAR1LPAR3ENPP2LPAR2
SCHEMBL22729889 0.92 LPAR1 (0.55) LPAR1LPAR3ENPP2LPAR2
SCHEMBL22729892 0.87 LPAR1 (0.49) LPAR1LPAR3ENPP2
SCHEMBL22729896 0.86 LPAR1 (0.51) LPAR1LPAR3ENPP2LPAR2
SCHEMBL22729872 0.85 LPAR1 (0.52) LPAR1LPAR3ENPP2LPAR2

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-2988743-B1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES INC (US) 2020-12-09 EP claimed