SCHEMBL22729892

SCHEMBL22729892

CC(OC(=O)Nc1c(F)cnn1-c1ccc(-c2ccc(C3CC3)cc2F)nc1)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.49
DHODH Q02127 2/20 0.37
ENPP2 Q13822 4/20 0.36
LPAR3 Q9UBY5 2/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL22729895 0.91 LPAR1 (0.46) LPAR1DHODHENPP2LPAR3
SCHEMBL22729896 0.90 LPAR1 (0.51) LPAR1ENPP2LPAR3CHRNB2CHRNB4
SCHEMBL16026395 0.90 LPAR1 (0.55) LPAR1ENPP2LPAR3
SCHEMBL16026397 0.90 LPAR1 (0.55) LPAR1ENPP2LPAR3
SCHEMBL22729880 0.90 LPAR1 (0.43) LPAR1DHODHLPAR3
SCHEMBL22729894 0.87 LPAR1 (0.55) LPAR1ENPP2LPAR3
SCHEMBL22729893 0.87 LPAR1 (0.55) LPAR1ENPP2LPAR3
SCHEMBL22729875 0.85 LPAR1 (0.53) LPAR1ENPP2LPAR3
SCHEMBL22729874 0.85 LPAR1 (0.53) LPAR1ENPP2LPAR3
SCHEMBL22729887 0.85 LPAR1 (0.49) LPAR1ENPP2LPAR3CHRNB2CHRNB4

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