SCHEMBL4387010

SCHEMBL4387010

Nc1cc(F)c(N2CCCOCC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
MAPT P10636 3/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1354385 0.93 MAOA (0.50) MAOAPDE3BPDE3AMAPTPIK3CA
Hydrochloric Acid SCHEMBL2385610 0.91 MAOA (0.49) MAOAPDE3BPDE3AMAPTPIK3CA
SCHEMBL4380979 0.82 CA12 (0.43) MAOAPDE3BPDE3AMAPTPIK3CA
SCHEMBL15637920 0.81 MAOA (0.45) MAOAPDE3BPDE3AMAPTPIK3CA
SCHEMBL238377 0.81 ALDH1A1 (0.43) MAPTGAASMN1; SMN2CA12CA1
Tetrahydrofuran SCHEMBL6653299 0.80 MAOA (0.39) MAOAPDE3BPDE3AMAPTPIK3CA
Tetrahydrofuran SCHEMBL6653304 0.80 MAOA (0.41) MAOAPDE3BPDE3AMAPTALDH1A1
SCHEMBL4381301 0.79 MAPT (0.59) PDE3BPDE3AMAPTPIK3CAPIK3CB
SCHEMBL5131921 0.77 LGMN (0.47) MAPTPIK3CAGAASMN1; SMN2ALDH1A1
SCHEMBL4383340 0.76 MAPT (0.52) PDE3BPDE3AMAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899331-B1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2009-11-25 EP disclosed
EP-1899331-A1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2008-03-19 EP disclosed
WO-2007000644-A1 HOMOMORPHOLINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-04 WO disclosed