SCHEMBL20070139

SCHEMBL20070139

CC(C)OC(=O)NC1(CNC2CCN(C)CC2)CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.40
OPRK1 P41145 4/20 0.34
DPP7 Q9UHL4 1/20 0.34
DRD2 P14416 1/20 0.34
SSTR4 P31391 3/20 0.33
HSD11B1 P28845 1/20 0.33
HTR2A P28223 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
FPR2 P25090 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20205833 0.94 RET (0.39) RETOPRK1DPP7DRD2SSTR4
SCHEMBL20147500 0.93 RET (0.38) RETOPRK1DPP7DRD2SSTR4
SCHEMBL21651988 0.91 RET (0.37) RETOPRK1DPP7DRD2SSTR4
SCHEMBL22857066 0.90 RET (0.37) RETOPRK1DPP7DRD2SSTR4
SCHEMBL20626703 0.90 RET (0.40) RETOPRK1DPP7DRD2SSTR4
SCHEMBL21651960 0.75 RET (0.41) RETDRD2TP53
SCHEMBL20158493 0.73 RET (0.44) RETDRD2MEN1KMT2A
SCHEMBL12282454 0.73 HSD11B1 (0.50) DRD2SSTR4HSD11B1HTR2AFPR2
SCHEMBL20070138 0.72 RET (0.44) RETDRD2MEN1KMT2A
SCHEMBL20069523 0.72 RET (0.44) RETMEN1KMT2A

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed