SCHEMBL4538629

SCHEMBL4538629

O=CC(Cl)c1ccc(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.41
FFAR2 O15552 1/20 0.33
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL13063990 0.80 APLNR (0.44) APLNRFFAR2ALDH1A1L3MBTL1HDAC6
SCHEMBL17273618 0.77 ALDH1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL1849724 0.77 APLNR (0.41) APLNRFFAR2ALDH1A1L3MBTL1HDAC6
SCHEMBL22775197 0.77 APLNR (0.41) APLNRFFAR2ALDH1A1L3MBTL1HDAC6
SCHEMBL26126120 0.77 CCR1 (0.40) HDAC6
SCHEMBL21909143 0.77 APLNR (0.49) APLNRFFAR2HDAC6
Bromide SCHEMBL3873854 0.76 APLNR (0.41) APLNR
SCHEMBL1857413 0.75 APLNR (0.50) APLNRFFAR2HDAC6
SCHEMBL2110025 0.75 APLNR (0.50) APLNRFFAR2HDAC6
SCHEMBL26621218 0.74 APLNR (0.33) APLNR

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed