SCHEMBL16499482

SCHEMBL16499482

CC(C)(C)OC(=O)N1CCC(c2ccccc2)(c2cc(CCOCCCCCCBr)ccc2OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
TACR1 P25103 1/20 0.42
YAP1 P46937 3/20 0.39
TLR9 Q9NR96 4/20 0.37
TSHR P16473 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PRMT5 O14744 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL16512122 0.92 OPRD1 (0.44) OPRD1OPRK1TACR1YAP1TSHR
SCHEMBL16511721 0.89 OPRD1 (0.45) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL12801209 0.88 OPRD1 (0.47) OPRD1OPRK1TACR1YAP1TLR9
SCHEMBL16499578 0.88 OPRD1 (0.45) OPRD1OPRK1TACR1TSHRALOX15
SCHEMBL12800403 0.87 OPRD1 (0.46) OPRD1OPRK1TACR1YAP1TLR9
SCHEMBL1671810 0.85 OPRD1 (0.51) OPRD1OPRK1TACR1YAP1TLR9
SCHEMBL1669177 0.85 OPRD1 (0.52) OPRD1OPRK1TACR1YAP1TLR9
SCHEMBL1669343 0.81 OPRD1 (0.40) OPRD1OPRK1TACR1YAP1
SCHEMBL1668912 0.81 OPRD1 (0.51) OPRD1OPRK1TACR1YAP1TLR9
SCHEMBL12800828 0.80 OPRD1 (0.39) OPRD1OPRK1TACR1YAP1TLR9

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-2011154678-A1 COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 WO disclosed