SCHEMBL5324912

SCHEMBL5324912

N#CC1(c2ccc(N3N=C(C4CCCCC4)c4ccccc4N(c4ccc(N)cc4)C3=O)cc2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 16/20 0.44
STING1 Q86WV6 2/20 0.36
CCKBR P32239 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5324910 0.84 PTH1R (0.44) PTH1RCCKBRALDH1A1
SCHEMBL5324905 0.84 PTH1R (0.44) PTH1RCCKBRALDH1A1
SCHEMBL5324629 0.79 STING1 (0.37) PTH1RSTING1ALDH1A1
SCHEMBL5323414 0.75 PTH1R (0.47) PTH1RCCKBR
SCHEMBL5320208 0.75 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5325682 0.75 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5321548 0.75 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5320173 0.75 PTH1R (0.52) PTH1RCCKBR
SCHEMBL5322462 0.74 PTH1R (0.47) PTH1RCCKBR
SCHEMBL5323544 0.73 PTH1R (0.49) PTH1RCCKBR

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-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO disclosed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO disclosed