SCHEMBL250808

SCHEMBL250808

O=CCc1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.49
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.44
AKR1C3 P42330 1/20 0.44
ALDH3A1 P30838 1/20 0.43
ALDH1A3 P47895 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
SRPK1 Q96SB4 1/20 0.43
PIK3R1 P27986 3/20 0.43
PIK3CA P42336 3/20 0.43
GAA P10253 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3C2B O00750 1/20 0.41

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
SCHEMBL12142079 0.83 NOTUM (0.51) NOTUMPDE3BPDE3AALDH1A1LMNA
SCHEMBL250868 0.83 ALDH1A1 (0.51) NOTUMPDE3BPDE3AALDH1A1LMNA
SCHEMBL249613 0.81 NOTUM (0.49) NOTUMPDE3BPDE3AALDH1A1LMNA
SCHEMBL19582710 0.80 ALDH1A3 (0.64) NOTUMPDE3BPDE3AALDH1A1LMNA
SCHEMBL19582718 0.75 ALDH1A3 (0.61) NOTUMPDE3BPDE3AALDH1A1LMNA
SCHEMBL29417741 0.75 ALDH1A3 (0.61) NOTUMPDE3BPDE3AALDH1A1LMNA
SCHEMBL24680705 0.75 NOTUM (0.54) NOTUMPDE3BPDE3AALDH1A1LMNA
SCHEMBL249879 0.75 NOTUM (0.58) NOTUMPDE3BPDE3AALDH1A1LMNA
SCHEMBL31210319 0.75 MAPT (0.61) NOTUMPDE3BPDE3AALDH1A1LMNA
SCHEMBL1929073 0.75 MAPT (0.61) NOTUMPDE3BPDE3AALDH1A1LMNA

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed