SCHEMBL8912191

SCHEMBL8912191

O=C1CCC(c2ccc3c(c2)CC(NC(=O)Nc2ccccc2)C3)=NN1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
PDE3B Q13370 7/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DGAT1 O75907 1/20 0.42
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
PDE3A Q14432 6/20 0.40
PDE4A P27815 6/20 0.40
PDE4B Q07343 6/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL8911986 0.80 MAPT (0.42) SMN1; SMN2PDE3BMEN1KMT2APDE3A
SCHEMBL8912023 0.80 CA12 (0.49) SMN1; SMN2PDE3BMEN1KMT2APDE3A
SCHEMBL8912135 0.80 CRBN (0.44) SMN1; SMN2PDE3BKMT2AGPR119PDE3A
SCHEMBL8912495 0.79 LMNA (0.46) PDE3BMEN1KMT2AEPHX1PDE3A
SCHEMBL8911889 0.78 CA12 (0.51) PDE3BMEN1KMT2APDE3APDE4A
SCHEMBL8913326 0.77 PDE3B (0.47) NR1H2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL8110725 0.77 SMN1; SMN2 (0.48) NR1H2SMN1; SMN2GPR119
SCHEMBL8912187 0.76 SMN1; SMN2 (0.44) SMN1; SMN2PDE3BMEN1KMT2AGPR119
SCHEMBL8304547 0.74 PDE3B (0.48) SMN1; SMN2PDE3BPDE3APDE4APDE4B
SCHEMBL10361254 0.74 EPHX2 (0.65) SMN1; SMN2MEN1KMT2AKITPDGFRA

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 disclosed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US disclosed
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 disclosed