SCHEMBL8912740

SCHEMBL8912740

O=C1CCC(c2ccc3c(c2)CC(CCNC(=O)c2cccnc2)C3)=NN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
THRB P10828 1/20 0.38
NAMPT P43490 4/20 0.38
EPHX2 P34913 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8913326 0.86 PDE3B (0.47) PDE3BALDH1A1TSHRSMN1; SMN2CYP1A2
SCHEMBL8912491 0.79 HDAC3 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8108762 0.77 EPHX2 (0.56) PDE3BALDH1A1TSHRMEN1KMT2A
SCHEMBL8100659 0.76 LMNA (0.55) PDE3BALDH1A1TSHRMEN1KMT2A
SCHEMBL8109009 0.76 EPHX2 (0.55) PDE3BALDH1A1TSHRMEN1KMT2A
SCHEMBL8300953 0.75 MAPT (0.45) PDE3BKMT2ASMN1; SMN2MAPT
SCHEMBL8292412 0.74 PDE3B (0.46) PDE3BKMT2ASMN1; SMN2MAPT
SCHEMBL10473805 0.73 PDE3B (0.68) PDE3BALDH1A1MEN1KMT2ANPC1
SCHEMBL8300078 0.72 MAPT (0.46) PDE3BKMT2ASMN1; SMN2MAPT
SCHEMBL8300849 0.71 PDE3B (0.48) PDE3BKMT2ASMN1; SMN2MAPT

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
US-5605901-A THERAPY FOR GRAM-NEGATIVE BACTERIA, NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 US claimed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US claimed
EP-0661274-A1 Indane derivatives, processes for preparing the same and synthetic intermediate of the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP claimed