SCHEMBL4615070

SCHEMBL4615070

CC(C)CCNc1cc[nH]c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA2A P29274 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL27878117 0.78
SCHEMBL25443755 0.77 MAPT (0.50) ADRA2AL3MBTL1POLBTSHRNPSR1
SCHEMBL27515091 0.74 CYP1A2 (0.40) ADRA2AL3MBTL1NPSR1CYP1A2CYP2C9
SCHEMBL4893047 0.73 ABL1 (0.42) ADRA2ATSHRNPSR1CYP1A2CYP2C9
SCHEMBL28189161 0.73
SCHEMBL1548538 0.71 ALDH1A1 (0.56) ADRA2AL3MBTL1TSHRHSD17B10CYP1A2
SCHEMBL183639 0.69 MAPT (0.67) ADRA2AL3MBTL1POLBHSD17B10ADORA2A
SCHEMBL26000374 0.69 MEN1 (0.47) ADRA2AL3MBTL1POLBNPSR1CYP1A2
Hydrochloric Acid SCHEMBL17710410 0.69 ALDH1A1 (0.54) ADRA2AL3MBTL1TSHRNPSR1HSD17B10
SCHEMBL27636205 0.69 GAA (0.47) ALDH1A1GAA

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
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed