SCHEMBL28449490

SCHEMBL28449490

CC1(OC(N)=O)CCC(NCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRL1 P41146 2/20 0.51
GRIN2B Q13224 3/20 0.46
TMEM97 Q5BJF2 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
BCHE P06276 1/20 0.43
RAB9A P51151 1/20 0.42
FABP6 P51161 1/20 0.41
CCR2 P41597 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
DRD4 P21917 1/20 0.41
EPHX1 P07099 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL17650910 0.82 OPRM1 (0.55) OPRM1OPRL1GRIN2BTMEM97MEN1
SCHEMBL17650912 0.82 OPRM1 (0.55) OPRM1OPRL1GRIN2BTMEM97MEN1
SCHEMBL20818793 0.79 OPRM1 (0.57) OPRM1OPRL1GRIN2BTMEM97MEN1
SCHEMBL20819030 0.79 OPRM1 (0.57) OPRM1OPRL1GRIN2BTMEM97MEN1
SCHEMBL20818791 0.79 OPRM1 (0.57) OPRM1OPRL1GRIN2BTMEM97MEN1
SCHEMBL28453033 0.79 CCR5 (0.46) GRIN2BMEN1KMT2ARAB9A
SCHEMBL9044015 0.78 OPRM1 (0.53) OPRM1OPRL1GRIN2BTMEM97MEN1
SCHEMBL3644107 0.77 OPRM1 (0.52) OPRM1OPRL1GRIN2BTMEM97MEN1
SCHEMBL2588468 0.77 OPRM1 (0.61) OPRM1OPRL1GRIN2BTMEM97MEN1
SCHEMBL20576058 0.77 OPRM1 (0.55) OPRM1OPRL1GRIN2BTMEM97MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112236431-B Purinone Compounds and Their Use in the Treatment of Cancer 阿斯利康(瑞典)有限公司 2024-02-13 CN disclosed
CN-111566089-B IRE1 small molecule inhibitors 康奈尔大学 2023-11-17 CN disclosed
CN-112236431-A Purinone compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2021-01-15 CN disclosed
CN-111566089-A IRE1 small molecule inhibitor 康奈尔大学 2020-08-21 CN disclosed