SCHEMBL5322320

SCHEMBL5322320

Cc1ccc2c(c1)N(c1ccc([N+](=O)[O-])cc1)C(=O)N(C1CCN(C(=O)Nc3ccccc3)CC1)N=C2C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 17/20 0.50
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5326444 0.90 PTH1R (0.54) PTH1RNPC1TP53TSHRRAB9A
SCHEMBL5328105 0.85 PTH1R (0.54) PTH1RMEN1MAPTKMT2A
SCHEMBL5320662 0.85 PTH1R (0.54) PTH1RMEN1MAPTKMT2A
SCHEMBL5320370 0.85 PTH1R (0.48) PTH1RGAASMN1; SMN2MAPT
SCHEMBL5326447 0.82 PTH1R (0.52) PTH1R
SCHEMBL5329302 0.76 PTH1R (0.49) PTH1RKMT2A
SCHEMBL14566434 0.75 PTH1R (0.57) PTH1RTP53
SCHEMBL5322910 0.74 PTH1R (0.79) PTH1R
SCHEMBL5321537 0.74 PTH1R (0.73) PTH1R
SCHEMBL5325632 0.74 PTH1R (0.54) 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