SCHEMBL8994250

SCHEMBL8994250

COc1ccc2c(c1)CCc1cc(OC)ccc1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.59
PDE3A Q14432 2/20 0.59
SNCA P37840 1/20 0.55
BCL2 P10415 1/20 0.53
ALDH1A1 P00352 2/20 0.50
PKM P14618 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47

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
SCHEMBL1764375 0.87 PKM (0.65) PDE3BPDE3AALDH1A1PKMCYP1A2
SCHEMBL28978962 0.81 PDE3B (0.56) PDE3BPDE3AALDH1A1PKMCYP1A2
SCHEMBL3186685 0.81 PDE3B (0.56) PDE3BPDE3AALDH1A1PKMCYP1A2
SCHEMBL565913 0.80 DRD2 (0.53) PDE3BPDE3ASNCABCL2ALDH1A1
SCHEMBL11534726 0.80 MAPT (0.53) PDE3BPDE3ASNCAALDH1A1MAPT
SCHEMBL8194403 0.80 KMT2A (0.57) PDE3BPDE3AMAPTKMT2AMEN1
SCHEMBL30228538 0.80 MAPT (0.53) PDE3BPDE3ASNCAALDH1A1MAPT
Hydrochloric Acid SCHEMBL2208192 0.79 DRD2 (0.52) PDE3BPDE3ASNCABCL2ALDH1A1
Hydrochloric Acid SCHEMBL2208190 0.79 DRD2 (0.52) PDE3BPDE3ASNCABCL2ALDH1A1
SCHEMBL6986056 0.78 PDE3B (0.46) PDE3BPDE3ASNCABCL2ALDH1A1

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-0542019-B1 8-Hydroxy-2H-dibenz(b,f) azepin-2 one dyes BAYER AG (US) 1996-08-14 EP disclosed
EP-0542019-A1 8-Hydroxy-2H-dibenz(b,f) azepin-2 one dyes Bayer Corporation (US) 1993-05-19 EP disclosed
US-5208326-A 8-HYDROXY-2H-DIBENZ(B,F)AZEPIN-2-ONE DYES MILES INC. (US) 1993-05-04 US disclosed