SCHEMBL5320370

SCHEMBL5320370

CCOC(=O)N1CCC(N2N=C(C3CCCCC3)c3ccc(C)cc3N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 15/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL5320662 0.88 PTH1R (0.54) PTH1RALDH1A1MAPT
SCHEMBL5328105 0.88 PTH1R (0.54) PTH1RALDH1A1MAPT
SCHEMBL5322320 0.85 PTH1R (0.50) PTH1RSMN1; SMN2MAPTGAA
SCHEMBL5326447 0.84 PTH1R (0.52) PTH1R
SCHEMBL5319870 0.79 PTH1R (0.60) PTH1RALDH1A1MAPT
SCHEMBL5329302 0.78 PTH1R (0.49) PTH1R
SCHEMBL5325632 0.76 PTH1R (0.54) PTH1R
SCHEMBL5320888 0.76 PTH1R (0.60) PTH1R
SCHEMBL5326711 0.76 PTH1R (0.57) PTH1R
SCHEMBL5321102 0.76 PTH1R (0.57) PTH1R

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