SCHEMBL9844227

SCHEMBL9844227

COc1ccccc1N1CC(CCN2CCC(O)(c3ccccc3)CC2)OC1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.59
HTR7 P34969 3/20 0.50
TMEM97 Q5BJF2 1/20 0.46
OPRM1 P35372 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 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
SCHEMBL9844213 0.94 SIGMAR1 (0.60) SIGMAR1HTR7TMEM97
SCHEMBL9844419 0.94 SIGMAR1 (0.62) SIGMAR1HTR7
SCHEMBL9844389 0.93 SIGMAR1 (0.59) SIGMAR1HTR7OPRM1
SCHEMBL9678621 0.90 SIGMAR1 (0.72) SIGMAR1HTR1AADRA1DADRA1AADRA1B
SCHEMBL9844328 0.88 OPRL1 (0.51) SIGMAR1HTR7OPRM1
SCHEMBL7292159 0.88 SIGMAR1 (0.62) SIGMAR1
SCHEMBL9844457 0.86 SIGMAR1 (0.64) SIGMAR1
SCHEMBL9502924 0.85 SIGMAR1 (0.82) SIGMAR1
SCHEMBL9678716 0.84 SIGMAR1 (0.72) SIGMAR1
SCHEMBL9677238 0.84 SIGMAR1 (0.75) SIGMAR1

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
EP-0443197-A2 Oxazolidinones MERCK PATENT GmbH (DE) 1991-08-28 EP disclosed