SCHEMBL5323969

SCHEMBL5323969

CC1(C)CC(N2N=C(C3CCCCC3)c3ccc(Br)cc3NC2=O)CC(C)(C)C1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 2/20 0.31
BRD4 O60885 1/20 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
SCHEMBL5320857 0.88 PTH1R (0.36) CNR2
SCHEMBL5320053 0.88 CHRM1 (0.38) CNR2
SCHEMBL5331877 0.86 CES2 (0.32) LMNACNR2
SCHEMBL5321521 0.86 PTH1R (0.38) LMNAMAPK1SMN1; SMN2NPSR1BRD4
SCHEMBL5327710 0.85 ALDH1A1 (0.33) LMNAHPGDSMN1; SMN2NPSR1CNR2
SCHEMBL5323094 0.81 PDE4B (0.39) HPGDMAPK1SMN1; SMN2NPSR1
SCHEMBL5349124 0.80 CNR2 (0.31) CNR2
SCHEMBL5330541 0.78 PTH1R (0.37) CNR2
SCHEMBL5319651 0.77 PTH1R (0.37)
SCHEMBL5285662 0.77 CES2 (0.42)

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