SCHEMBL8349470

SCHEMBL8349470

O=C1CCN(c2ccnc(NCc3ccccc3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 5/20 0.57
▸ HRH4 Q9H3N8 3/20 0.57
▸ HRH3 Q9Y5N1 2/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ ADRA2C P18825 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ HRH2 P25021 1/20 0.57
▸ HTR1D P28221 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ HTR2C P28335 1/20 0.57
▸ HTR7 P34969 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ HTR5A P47898 1/20 0.57
▸ HTR6 P50406 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ TMEM97 Q5BJF2 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.57
▸ IDH1 O75874 5/20 0.54
▸ LCK P06239 1/20 0.52
▸ CXCR4 P61073 1/20 0.48

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
SCHEMBL26708280 0.86 CXCR4 (0.63) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL847908 0.83 HRH4 (0.66) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL1588414 0.83 HRH4 (0.81) OGAHRH4HRH3ADRA2BADRA2C
Hydrochloric Acid SCHEMBL27538719 0.82 HRH4 (0.64) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL7377384 0.78 OGA (0.59) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL1263029 0.77 HDAC6 (0.48) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL1588714 0.77 HRH4 (0.69) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL19191699 0.76 IDH1 (0.59) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL26708279 0.76 OGA (0.79) OGAHRH4HRH3ADRA2BADRA2C
SCHEMBL12703055 0.75 HRH4 (0.56) OGAHRH4HRH3ADRA2BADRA2C

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
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