SCHEMBL13448591

SCHEMBL13448591

COCCCOc1cc(CN(C(=O)OC(C)(C)C)C2CC2C)c(C)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.38
MTNR1A P48039 5/20 0.33
MTNR1B P49286 5/20 0.33
PDE4B Q07343 1/20 0.33
EZH2 Q15910 1/20 0.32
KDM1A O60341 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL2805304 0.91 REN (0.44) RENMTNR1AMTNR1BNR1H4
SCHEMBL18509018 0.84 REN (0.43) RENNR1H4
SCHEMBL18509013 0.81 REN (0.41) RENNR1H4
SCHEMBL13132250 0.80 REN (0.43) RENNR1H4
SCHEMBL13132246 0.80 MTNR1A (0.44) RENMTNR1AMTNR1BNR1H4
SCHEMBL13132485 0.73 REN (0.47) RENNR1H4
SCHEMBL2814031 0.73 REN (0.64) RENMTNR1AMTNR1BNR1H4
SCHEMBL2811860 0.72 REN (0.45) RENNR1H4
SCHEMBL1518385 0.69 REN (0.47) REN
SCHEMBL2807712 0.69 REN (0.42) RENNR1H4

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-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed