SCHEMBL9540970

SCHEMBL9540970

O=C(O)CCc1c(Cc2ccc(Br)cc2)[nH]c(=O)c2cc(Br)ccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 6/20 0.52
CTDSP1 Q9GZU7 1/20 0.41
PDE5A O76074 1/20 0.40
PDE9A O76083 1/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
EGFR P00533 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
FBP1 P09467 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
SCHEMBL9541268 0.72 GPR17 (0.41) GPR17CTDSP1FFAR1FFAR4
SCHEMBL9541379 0.70 GPR17 (0.41) GPR17CTDSP1FFAR1FFAR4PDE3B
SCHEMBL9186131 0.69 GPR17 (1.00) GPR17
SCHEMBL9539867 0.68 ALOX5 (0.46) PDE3BPDE3A
SCHEMBL2944735 0.67 MTNR1A (0.66) GPR17EGFR
SCHEMBL5455 0.67 FFAR1 (0.71) FFAR1FFAR4
SCHEMBL7539349 0.66 GPR17 (0.56) GPR17PDE5APDE9AFFAR1EGFR
SCHEMBL18509470 0.66 APEX1 (0.59) GPR17FFAR1EGFR
SCHEMBL15463450 0.66 GPR17 (0.66) GPR17PDE5APDE9AEGFR
Hydrochloric Acid SCHEMBL6440989 0.65 FFAR1 (0.69) FFAR1FFAR4

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-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 WO disclosed