SCHEMBL28564168

SCHEMBL28564168

CC(=O)Nc1nc(F)c(CN2CCCC(Cc3cc(C)nc(C)c3)C2)s1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.70
OPRK1 P41145 1/20 0.70
SLC6A4 P31645 2/20 0.68
SLC6A3 Q01959 2/20 0.68
ADRA2B P18089 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
SIGMAR1 Q99720 1/20 0.68
CCR3 P51677 14/20 0.43
CYP2D6 P10635 12/20 0.43
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
CCR1 P32246 1/20 0.43
CCR2 P41597 1/20 0.43
CCR5 P51681 1/20 0.43
DRD2 P14416 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIRT2 Q8IXJ6 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
SCHEMBL21369614 1.00 OGA (0.70) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21370299 0.94 OGA (0.61) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL28574849 0.94 OGA (0.61) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21369615 0.90 OGA (0.60) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL28572960 0.90 OGA (0.60) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21604564 0.89 OGA (0.70) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21604651 0.89 OGA (0.70) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21604548 0.89 OGA (0.70) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL21369464 0.88 SLC6A4 (0.56) OGAOPRK1SLC6A4SLC6A3ADRA2B
SCHEMBL28574873 0.88 SLC6A4 (0.56) OGAOPRK1SLC6A4SLC6A3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955490-A O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranoside enzyme inhibitors 渤健马萨诸塞州股份有限公司 2024-11-15 CN disclosed
CN-112218863-B O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranoside enzyme inhibitors 比奥根MA公司 2024-07-12 CN disclosed
CN-112218863-A O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranosidase inhibitors 比奥根MA公司 2021-01-12 CN disclosed