SCHEMBL5599328

SCHEMBL5599328

CCC(O)CNC(=O)c1cnc(N2CCNCC2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.43
P2RY12 Q9H244 8/20 0.42
SLC2A1 P11166 1/20 0.42
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41

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
SCHEMBL4110402 0.86 P2RY12 (0.49) P2RY12
SCHEMBL4110320 0.81 MEN1 (0.49) P2RY12
SCHEMBL2417886 0.81 CXCR3 (0.54) CXCR3P2RY12
SCHEMBL3927688 0.78 KMT2A (0.58)
SCHEMBL24970972 0.77 CXCR3 (0.63) CXCR3P2RY12
SCHEMBL31142964 0.77 CXCR3 (0.63) CXCR3P2RY12
SCHEMBL4500021 0.77 CXCR3 (0.43) CXCR3P2RY12SLC2A1
Hydrochloric Acid SCHEMBL30903328 0.77 CXCR3 (0.62) CXCR3P2RY12
SCHEMBL2418989 0.76 SMN1; SMN2 (0.50) CXCR3P2RY12
SCHEMBL5592425 0.76 P2RY12 (0.54) P2RY12USP28USP25

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed