SCHEMBL5797547

SCHEMBL5797547

CCC(C(=O)O)C1COCCN1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8529804 0.78 CPN1 (0.40) CPN1CPB2
SCHEMBL4954489 0.77 CPB2 (0.31) CPB2
Hydrochloric Acid SCHEMBL15572916 0.76 ALDH1A1 (0.32) CPB2ALDH1A1
SCHEMBL5146390 0.75 GBA1 (0.39)
SCHEMBL3102774 0.74
SCHEMBL11599065 0.74
SCHEMBL9205681 0.74 SLC6A3 (0.41) CPN1CPB2ALDH1A1
SCHEMBL15499258 0.73
SCHEMBL3986419 0.72 CPN1 (0.39) CPN1CPB2
SCHEMBL28484244 0.72

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
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO disclosed