SCHEMBL9943153

SCHEMBL9943153

CC(C)(C)OC(=O)COc1cc(CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
SLC6A4 P31645 4/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
GPR119 Q8TDV5 8/20 0.42
YAP1 P46937 3/20 0.41
CYP2D6 P10635 1/20 0.40
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6114864 0.92 HTR1A (0.45) HTR1ASLC6A4CYP2D6MEN1KMT2A
SCHEMBL8773651 0.92 HTR1A (0.43) HTR1ASLC6A4KDM4EPKMGPR119
SCHEMBL8773592 0.88 SLC6A4 (0.47) HTR1ASLC6A4KDM4EPKMGPR119
SCHEMBL8837960 0.87 SLC6A4 (0.59) HTR1ASLC6A4KDM4EPKMCYP2D6
SCHEMBL15871247 0.84 SLC6A4 (0.61) HTR1ASLC6A4KDM4ECYP2D6
SCHEMBL6115159 0.83 KDM4E (0.47) HTR1ASLC6A4KDM4EPKMGPR119
SCHEMBL11949137 0.82 GPR119 (0.49) KDM4EPKMGPR119
SCHEMBL578839 0.79 FPR2 (0.53) KDM4EPKMGPR119
SCHEMBL1363304 0.77 KDM4E (0.51) KDM4EPKMGPR119YAP1
SCHEMBL5362064 0.77 ALDH1A1 (0.50) KDM4EPKMGPR119YAP1FAAH

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-2463286-A1 BENZYL PIPERIDINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-06-13 EP disclosed