SCHEMBL5048744

SCHEMBL5048744

CO[C@@H](C)COc1ccc(CCN)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
MAOB P27338 7/20 0.51

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
SCHEMBL11157593 0.84 TAAR1 (0.57) TAAR1MAOB
SCHEMBL11272090 0.82 TDP1 (0.53) MAOB
SCHEMBL19999721 0.79 S1PR1 (0.53)
SCHEMBL13554407 0.77 AAK1 (0.45) MAOB
SCHEMBL12849070 0.77 LTA4H (0.53) MAOB
SCHEMBL12672292 0.76 TSHR (0.46)
SCHEMBL8413209 0.76 TAAR1 (0.47) TAAR1MAOB
SCHEMBL2693322 0.75 ADRB2 (0.41)
SCHEMBL12129217 0.75 CYP2C9 (0.44)
SCHEMBL14123467 0.74 TSHR (0.42) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966156-A2 NEW COMPOUNDS III AstraZeneca AB (SE) 2008-09-10 EP claimed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
EP-1966156-A2 NEW COMPOUNDS III AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed