SCHEMBL9275683

SCHEMBL9275683

C[C@H]1C[C@@](Br)(c2cc(F)cc(Sc3ccc4c(c3)CCC(=O)N4C)c2)CCO1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.48
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
TRIM24 O15164 1/20 0.34
CYP11B2 P19099 6/20 0.33
METAP2 P50579 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP19A1 P11511 1/20 0.31
TRPV1 Q8NER1 2/20 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
SCHEMBL8557662 0.89 ALOX5 (0.47) ALOX5PDE3BPDE3ATRIM24CYP11B2
SCHEMBL9275052 0.88 ALOX5 (0.58) ALOX5PDE3BPDE3ATRIM24CYP11B2
SCHEMBL9280770 0.87 ALOX5 (0.58) ALOX5PDE3BPDE3ATRIM24CYP11B2
SCHEMBL9280765 0.87 ALOX5 (0.58) ALOX5PDE3BPDE3ATRIM24CYP11B2
SCHEMBL9280772 0.87 ALOX5 (0.58) ALOX5PDE3BPDE3ATRIM24CYP11B2
SCHEMBL9100476 0.87 ALOX5 (0.58) ALOX5PDE3BPDE3ATRIM24CYP11B2
SCHEMBL9271466 0.80 ALOX5 (0.45) ALOX5PDE3BPDE3ATRIM24CYP11B2
SCHEMBL9275295 0.80 ALOX5 (0.45) ALOX5PDE3BPDE3ATRIM24CYP11B2
SCHEMBL2108616 0.79 ALOX5 (0.46) ALOX5TRIM24CYP11B2METAP2GABRG2
SCHEMBL2107548 0.78 ALOX5 (0.43) ALOX5PDE3BPDE3ATRIM24CYP11B2

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
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO claimed
WO-1995030668-A1 CYCLIC ETHER DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING THEM ZENECA LIMITED (GB) 1995-11-16 WO disclosed