SCHEMBL2014178

SCHEMBL2014178

CC(C)(C)OC(=O)[CH]N1CCc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
DRD2 P14416 4/20 0.46
LIPE Q05469 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
RIPK1 Q13546 2/20 0.44
ESR2 Q92731 1/20 0.43
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
NR1H2 P55055 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL29369046 0.76 ESR2 (0.70) NOTUMMAPTMEN1KMT2ATAAR1
SCHEMBL1202402 0.76 ESR2 (0.70) NOTUMMAPTMEN1KMT2ATAAR1
Ammonia Solution, Strong SCHEMBL30461763 0.75 ESR2 (0.68) NOTUMMAPTMEN1KMT2ATAAR1
Formamide SCHEMBL18787605 0.73 NR1H2 (0.64) NOTUMMAPTMEN1KMT2ATAAR1
SCHEMBL507146 0.73 NR1H2 (0.61) NOTUMESR2PRMT5WDR77MAPK1
SCHEMBL27929852 0.72 NOTUM (0.45) NOTUMDRD2LIPEMAPTMEN1
SCHEMBL2014179 0.72 DRD2 (0.56) DRD2MAPTMEN1KMT2APRMT5
SCHEMBL4026764 0.71 HPGD (0.39)
SCHEMBL4180059 0.71 CTSK (0.41) MAPTMEN1KMT2A
SCHEMBL14558091 0.71 RIPK1 (0.67) NOTUMRIPK1ESR2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed
WO-2011073276-A1 BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed