SCHEMBL17150232

SCHEMBL17150232

O=C1COC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1cccc2[nH]ccc12

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.71
HCRTR2 O43614 20/20 0.71
KCNH2 Q12809 1/20 0.44
LTC4S Q16873 1/20 0.44

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
SCHEMBL17150221 0.90 HCRTR2 (0.70) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9949036 0.86 HCRTR1 (0.76) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9959004 0.84 HCRTR1 (0.90) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9948911 0.83 HCRTR1 (0.73) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2025800 0.83 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9958353 0.81 HCRTR1 (0.81) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL17150224 0.80 HCRTR2 (0.63) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2027351 0.78 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL17150231 0.78 HCRTR2 (0.69) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9949164 0.76 HCRTR2 (0.75) HCRTR1HCRTR2KCNH2LTC4S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015152368-A1 OXAZOLIDINONE AND OXAZINANONE DERIVATIVES 大正製薬株式会社 2015-10-08 WO disclosed