SCHEMBL4768294

SCHEMBL4768294

c1ccc(CC2CCc3occc3CN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
SLC22A1 O15245 1/20 0.36
PRCP P42785 1/20 0.36
GID4 Q8IVV7 1/20 0.36
GBA1 P04062 1/20 0.35
PLG P00747 2/20 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
SCHEMBL8437618 0.85 MEN1 (0.48) MEN1KMT2APOLB
SCHEMBL14717867 0.73 POLB (0.58) MEN1KMT2APOLBSLC22A1PRCP
SCHEMBL17542064 0.69 POLB (0.71) POLBGBA1PLG
SCHEMBL17542062 0.69 POLB (0.71) POLBGBA1PLG
SCHEMBL3124097 0.68 PNMT (0.62) MEN1KMT2APOLBPRCP
SCHEMBL4828422 0.68 POLB (0.44) MEN1KMT2APOLBSLC22A1PRCP
Hydrochloric Acid SCHEMBL17542000 0.67 POLB (0.69) MEN1KMT2APOLBGBA1PLG
Hydrochloric Acid SCHEMBL18862980 0.67 POLB (0.69) MEN1KMT2APOLBGBA1PLG
SCHEMBL14933982 0.66 MEN1 (0.52) MEN1KMT2APOLB
SCHEMBL14732785 0.66 MEN1 (0.52) MEN1KMT2APOLBSLC22A1PRCP

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
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed