SCHEMBL9726802

SCHEMBL9726802

C=CCc1nc2c(C)nc(C)[c]c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4563307 0.67 NPSR1 (0.41) NPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL3258402 0.61 MGAM (0.45) ALDH1A1
SCHEMBL7604115 0.61 NPSR1 (0.35) NPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL10910403 0.60 NPSR1 (0.35) NPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL9522589 0.58 ALDH1A1 (0.32) NPSR1ALDH1A1HPGDL3MBTL1
SCHEMBL22061395 0.57 MAOA (0.39) NPSR1ALDH1A1HPGD
SCHEMBL11035422 0.56 NPSR1 (0.30) NPSR1
SCHEMBL391560 0.56 NPSR1 (0.33) NPSR1
SCHEMBL2163311 0.56 MAPT (0.40) L3MBTL1
SCHEMBL669406 0.56 ADORA2A (0.40) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149814-A Alkyl 2-benzylidene-4-(2-alkylimidazopyrid-1-yl) benzoylacetate esters as intermediate compounds PFIZER INC (US) 1992-09-22 US claimed
US-4935430-A Platelet activating factor antagonists PFIZER INC. (US) 1990-06-19 US claimed