SCHEMBL6530748

SCHEMBL6530748

CN1C(=O)COc2cc(N)cc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
GRM4 Q14833 1/20 0.32
KMO O15229 1/20 0.32
ALOX5 P09917 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
MAPK14 Q16539 1/20 0.30
CHRM1 P11229 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
SCHEMBL18226728 0.81 KMO (0.36) CYP11B2CYP11B1PDE3BPDE3AGRM4
SCHEMBL30336272 0.81 PDE3B (0.35) CYP11B2CYP11B1PDE3BPDE3AGRM4
SCHEMBL29209037 0.81 PDE3B (0.35) CYP11B2CYP11B1PDE3BPDE3AGRM4
SCHEMBL27434591 0.79 L3MBTL1 (0.36) CYP11B2CYP11B1ALOX5GABRG2GABRB3
SCHEMBL6526548 0.77 TERT (0.41) CYP11B2CYP11B1ALOX5GABRG2GABRB3
SCHEMBL30336343 0.74 TERT (0.41) CYP11B2CYP11B1PDE3BPDE3ACHRM1
SCHEMBL7965147 0.74 CYP11B1 (0.31) CYP11B2CYP11B1GRM4
SCHEMBL31180349 0.74 ROCK1 (0.38) CYP11B2CYP11B1ALOX5GPR55
SCHEMBL5004930 0.73 BMPR1B (0.42)
SCHEMBL3826017 0.73 MAPT (0.37) MAPK14

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-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed