SCHEMBL4326737

SCHEMBL4326737

O=C(c1ccc(OC(F)F)c2oc3ccc([N+](=O)[O-])cc3c12)N1CCc2cnccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ HTR2C P28335 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MEN1 O00255 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ NR4A1 P22736 1/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ XBP1 P17861 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
SCHEMBL4326731 0.90 HTR2C (0.40) HTR2CMAPTHTTLMNANPC1
SCHEMBL4328666 0.86 PDE4D (0.39) PDE4BPDE4DPDE4APDE4CHTR2C
SCHEMBL4326546 0.83 PDE4D (0.59) PDE4BPDE4DPDE4APDE4CHTR2C
SCHEMBL1301737 0.77 MAOA (0.43) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL13620937 0.76 PDE4D (0.46) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL4465297 0.74 HTR2C (0.40) HTR2CMAPTHTTLMNANPC1
SCHEMBL8267950 0.73 KMT2A (0.43) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL4326551 0.73 PDE4D (0.47) PDE4BPDE4DALDH1A1SMN1; SMN2
SCHEMBL4755347 0.73 PDE4D (0.69) PDE4BPDE4DPDE4APDE4CMAPT
SCHEMBL4032324 0.73 PDE4D (0.69) PDE4BPDE4DPDE4APDE4CMAPT

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-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 — — WO claimed
WO-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 — — WO disclosed
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