SCHEMBL7430898

SCHEMBL7430898

O=c1[nH]c(Cl)nc2c1ncn2C1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.62
GRIA2 P42262 1/20 0.62
GRIA3 P42263 1/20 0.62
GRIA4 P48058 1/20 0.62
PDE5A O76074 3/20 0.53
PDE1A P54750 3/20 0.53
PDE1B Q01064 3/20 0.53
PDE1C Q14123 3/20 0.53
HPGD P15428 1/20 0.52
PI4KA P42356 3/20 0.44
PI4K2B Q8TCG2 3/20 0.44
PI4K2A Q9BTU6 3/20 0.44
PI4KB Q9UBF8 3/20 0.44
ADORA2A P29274 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
PNP P00491 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HCAR1 Q9BXC0 4/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL7431961 0.83 GRIA1 (0.62) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL14743926 0.83 GRIA1 (0.62) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL17604369 0.82 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL1713327 0.82 YTHDC1 (0.57) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL4522031 0.80 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL7439380 0.77 CNOT7 (0.45) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL6473284 0.74 ADORA2A (0.54) GRIA1GRIA2GRIA3GRIA4PI4KA
SCHEMBL7437145 0.73 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL17604230 0.73 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL786455 0.73 ADORA2A (0.49) GRIA1GRIA2GRIA3GRIA4PI4KA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed