SCHEMBL28583580

SCHEMBL28583580

CC(=O)Nc1ncc(CN2CCCC(Cc3ccc(Cl)cc3)C2)s1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 18/20 0.74
▸ OPRK1 P41145 1/20 0.74
▸ ADRA2B P18089 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL21359444 1.00 OGA (0.74) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21370145 1.00 OGA (0.74) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21359556 0.91 OGA (0.74) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21369416 0.91 OGA (0.74) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21359519 0.90 OGA (0.76) OGAOPRK1
SCHEMBL21369551 0.90 OGA (0.76) OGAOPRK1
SCHEMBL21359566 0.90 OGA (0.75) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21369554 0.90 OGA (0.75) OGAOPRK1ADRA2BSLC6A4SLC6A3
SCHEMBL21359581 0.89 OGA (0.71) OGAOPRK1
SCHEMBL21370106 0.89 OGA (0.71) OGAOPRK1

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
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