SCHEMBL22729889

SCHEMBL22729889

C[C@@H](OC(=O)Nc1c(F)cnn1-c1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.55
LPAR3 Q9UBY5 4/20 0.44
LPAR2 Q9HBW0 1/20 0.40
ENPP2 Q13822 4/20 0.40
HRH1 P35367 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL22729884 1.00 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2HRH1
SCHEMBL16026397 0.92 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2
SCHEMBL22729893 0.92 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2
SCHEMBL22729894 0.92 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2
SCHEMBL22729896 0.92 LPAR1 (0.51) LPAR1LPAR3LPAR2ENPP2
SCHEMBL16026395 0.92 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2
SCHEMBL22729875 0.90 LPAR1 (0.53) LPAR1LPAR3LPAR2ENPP2HRH1
SCHEMBL22729874 0.90 LPAR1 (0.53) LPAR1LPAR3LPAR2ENPP2HRH1
SCHEMBL29895980 0.90 LPAR1 (0.63) LPAR1LPAR3LPAR2HRH1
SCHEMBL22729872 0.90 LPAR1 (0.52) LPAR1LPAR3LPAR2ENPP2HRH1

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