SCHEMBL8911969

SCHEMBL8911969

CCCN(C(=O)OCc1ccccc1)C1Cc2ccc(C3=NNC(=O)CC3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.40
PDE3A Q14432 5/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
CCR5 P51681 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8914459 0.86 PDE3B (0.45) PDE3BPDE3AMAPTLMNANPY1R
SCHEMBL8912378 0.86 MAPT (0.40) PDE3BPDE3AMAPTLMNANPY1R
SCHEMBL8912302 0.82 MAPT (0.42) PDE3BPDE3AMAPTLMNANPY1R
SCHEMBL3782766 0.71 CCR5 (0.45) CCR5TMEM97
SCHEMBL3782772 0.71 CCR5 (0.45) CCR5TMEM97
SCHEMBL12033460 0.71 CCR5 (0.51) CCR5
SCHEMBL3786192 0.69 CCR5 (0.45) CCR5TMEM97
SCHEMBL3786187 0.69 CCR5 (0.45) CCR5TMEM97
SCHEMBL8303551 0.69 LMNA (0.48) PDE3BPDE3AMAPTLMNANPY1R
SCHEMBL7131705 0.69 SLC6A4 (0.53) CCR5

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