SCHEMBL5350240

SCHEMBL5350240

CCC(C1=NCCN1)c1[c]cccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
NISCH Q9Y2I1 5/20 0.48
ADRA2A P08913 8/20 0.44
ADRA2B P18089 8/20 0.44
ADRA2C P18825 8/20 0.44
HTR1A P08908 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
SCHEMBL5352074 0.81 ADRA2A (0.50) MAOAMAOBNISCHADRA2AADRA2B
SCHEMBL954219 0.79 NISCH (0.56) MAOAMAOBNISCHADRA2AADRA2B
SCHEMBL9465771 0.76 LMNA (0.37)
SCHEMBL954884 0.72 NISCH (0.49) MAOAMAOBNISCHADRA2AADRA2B
SCHEMBL6294162 0.71 HTR2A (0.42)
SCHEMBL953296 0.70 NISCH (0.53) MAOAMAOBNISCHADRA2AADRA2B
SCHEMBL954708 0.70 NISCH (0.45) MAOAMAOBNISCHADRA2AADRA2B
SCHEMBL5362545 0.70 MTOR (0.38) NISCHADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL954763 0.69 NISCH (0.51) MAOAMAOBNISCHADRA2AADRA2B
SCHEMBL954644 0.69 NISCH (0.44) MAOAMAOBNISCHADRA2AADRA2B

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-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO disclosed