SCHEMBL28797110

SCHEMBL28797110

CC(C)(C)C(=O)OC1(Cc2ccccc2O)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
AKR1B1 P15121 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSPA5 P11021 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TSHR P16473 1/20 0.31
IDO1 P14902 1/20 0.30
TACR1 P25103 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
SCHEMBL28313657 0.83 OPRM1 (0.41) OPRM1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27866775 0.81 DRD2 (0.33) OPRM1SLC6A2SLC6A4SLC6A3USP2
SCHEMBL27935397 0.80 HTR1A (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL28023819 0.79 CYP1A2 (0.40) OPRM1SLC6A2SLC6A4SLC6A3USP2
SCHEMBL28818066 0.75 DRD2 (0.41) CYP2D6
SCHEMBL28832680 0.75 PROKR1 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL28023208 0.74 OPRM1 (0.31) OPRM1
SCHEMBL28023815 0.74 CYP17A1 (0.39)
SCHEMBL28086959 0.74 FPR2 (0.41) SLC6A2SLC6A4
SCHEMBL28818063 0.72 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 CN disclosed
CN-104906100-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2015-09-16 CN disclosed
CN-104876927-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LAB 2015-09-02 CN disclosed
CN-102448959-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE BAHAMAS LTD 2015-06-17 CN disclosed
CN-103282025-A Melt-extruded solid dispersions containing apoptosis-inducing agents ABBVIE INC 2013-09-04 CN disclosed
CN-102448959-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2012-05-09 CN disclosed