SCHEMBL8355347

SCHEMBL8355347

c1ccc(CNC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.57
BACE1 P56817 7/20 0.57
BCHE P06276 5/20 0.57
VCP P55072 3/20 0.55
KDM1A O60341 1/20 0.54
MAOB P27338 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
GRIN2B Q13224 1/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
FABP6 P51161 1/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL7837850 0.94 VCP (0.60) ACHEBACE1BCHEVCPKDM1A
SCHEMBL7841536 0.89 ACHE (0.66) ACHEBACE1BCHEVCPMEN1
SCHEMBL22815725 0.82 ACHE (0.70) ACHEBACE1BCHEVCPMEN1
SCHEMBL13573605 0.81 ACHE (0.55) ACHEBACE1BCHEVCPMEN1
SCHEMBL3958384 0.79 DRD4 (0.56) ACHEBACE1BCHEVCPMEN1
SCHEMBL803329 0.78 ITGB3 (0.49) VCPKDM1AMAOBITGB3ITGA2B
Hydrochloric Acid SCHEMBL785765 0.77 ITGB3 (0.48) VCPKDM1AMAOBITGB3ITGA2B
SCHEMBL7839245 0.76 VCP (0.59) ACHEBACE1BCHEVCPKDM1A
SCHEMBL11378018 0.76 ACHE (0.50) ACHEBACE1BCHEVCPKDM1A
SCHEMBL7014966 0.76 ITGB3 (0.52) VCPMEN1KMT2AGRIN2BITGB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972947-A ANTICOAGULANT, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS, OSTEOPOROSIS, ANTITUMOR AGENT ROCHE DIAGNOSTICS GMBH (DE) 1999-10-26 US disclosed
EP-0839147-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-05-06 EP disclosed
WO-1997003072-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-30 WO disclosed