SCHEMBL16199799

SCHEMBL16199799

O=C(O)CCCc1ccc(Cl)cc1-c1cnc(N2CCCCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.41
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1690247 0.79 PTGDR2 (0.58)
SCHEMBL27658715 0.76 IDO1 (0.43) CNR2
SCHEMBL4778926 0.69 ACLY (0.58) FFAR4FFAR1
SCHEMBL1690287 0.68 PTGDR2 (0.56) CNR2
Hydrochloric Acid SCHEMBL9083841 0.68 ACLY (0.57) FFAR4FFAR1
SCHEMBL5440013 0.67 FFAR4 (0.66) FFAR4FFAR1
SCHEMBL6207183 0.66 ACLY (0.63)
SCHEMBL13606217 0.66 CNR2 (0.51) CNR2
SCHEMBL10276916 0.65 ACLY (0.65)
SCHEMBL10896486 0.64 STK4 (0.44) CNR2

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-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed