SCHEMBL5335041

SCHEMBL5335041

CCN1C(=O)OCC1Cc1ccc(Oc2ccc(N(C)c3ccccn3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.40
PPARG P37231 4/20 0.36
IDH1 O75874 9/20 0.35
FAAH O00519 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL4509181 1.00 KDM4C (0.40) KDM4CPPARGIDH1FAAHTRPM8
SCHEMBL4508746 0.89 KDM4C (0.41) KDM4CPPARGIDH1FAAHTRPM8
SCHEMBL4506959 0.84 NPC1 (0.35) KDM4CIDH1
SCHEMBL5346339 0.84 NPC1 (0.35) KDM4CIDH1
SCHEMBL13763323 0.84 KDM4C (0.36) KDM4C
SCHEMBL5334888 0.83 PKM (0.36) KDM4C
SCHEMBL4512824 0.83 PKM (0.36) KDM4C
SCHEMBL4516372 0.82 P2RX3 (0.34) KDM4CIDH1
SCHEMBL4516368 0.82 P2RX3 (0.34) KDM4CIDH1
SCHEMBL5334219 0.81 PPARG (0.34) PPARGIDH1

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-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed