SCHEMBL5245345

SCHEMBL5245345

CCC(C1CCNC1)N(C)c1nc2c(C(N)=O)c[c]cc2s1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.32
IRAK4 Q9NWZ3 3/20 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
SCHEMBL5246381 0.89 PARP1 (0.34) PARP1IRAK4
SCHEMBL5248275 0.87 PARP1 (0.33) PARP1
SCHEMBL5244562 0.86 PARP1 (0.33) PARP1IRAK4
SCHEMBL3749075 0.79 PARP1 (0.34) PARP1IRAK4
SCHEMBL3750058 0.75 PARP14 (0.34) PARP1
SCHEMBL3752317 0.69 HTR2C (0.39)
SCHEMBL3744443 0.69 THRB (0.35) PARP1IRAK4
SCHEMBL3756206 0.67 PARP1 (0.36) PARP1IRAK4
SCHEMBL3750551 0.67 PARP1 (0.34) PARP1
SCHEMBL3750053 0.67 PARP1 (0.35) PARP1

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-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO claimed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed