SCHEMBL9280765

SCHEMBL9280765

CO[C@]1(c2cc(F)cc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCOC(C)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.58
TRIM24 O15164 1/20 0.33
CYP11B2 P19099 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP11B1 P15538 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL9280772 1.00 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP1A2CYP11B1
SCHEMBL9100476 1.00 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP1A2CYP11B1
SCHEMBL9280770 1.00 ALOX5 (0.58) ALOX5TRIM24CYP11B2CYP1A2CYP11B1
SCHEMBL9100200 0.89 ALOX5 (0.54) ALOX5TRIM24CYP11B2CYP1A2CYP11B1
SCHEMBL9099705 0.88 ALOX5 (0.71) ALOX5CYP11B2
SCHEMBL9275683 0.87 ALOX5 (0.48) ALOX5TRIM24CYP11B2CYP1A2CYP11B1
SCHEMBL9199914 0.86 ALOX5 (0.60) ALOX5CYP11B2CYP11B1GABRG2GABRB3
SCHEMBL9197600 0.86 ALOX5 (0.60) ALOX5CYP11B2CYP11B1GABRG2GABRB3
SCHEMBL8557662 0.86 ALOX5 (0.47) ALOX5TRIM24CYP11B2CYP11B1GABRG2
SCHEMBL9099749 0.85 ALOX5 (0.55) ALOX5TRIM24CYP11B2CYP1A2CYP11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702678-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-03-27 EP disclosed
WO-1994029291-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1994-12-22 WO disclosed