SCHEMBL30060694

SCHEMBL30060694

CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](C)O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 20/20 1.00

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
SCHEMBL31668345 1.00 ACSS2 (1.00) ACSS2
SCHEMBL18674939 1.00 ACSS2 (1.00) ACSS2
SCHEMBL17267076 1.00 ACSS2 (1.00) ACSS2
SCHEMBL18662748 1.00 ACSS2 (1.00) ACSS2
SCHEMBL17267123 0.95 ACSS2 (1.00) ACSS2
SCHEMBL18675078 0.94 ACSS2 (0.88) ACSS2
SCHEMBL18674897 0.93 ACSS2 (1.00) ACSS2
SCHEMBL29917914 0.93 ACSS2 (0.87) ACSS2
SCHEMBL18675062 0.92 ACSS2 (0.86) ACSS2
SCHEMBL18675072 0.92 ACSS2 (1.00) ACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335371-B Tetrazole derivatives 默克专利股份公司 2024-12-27 — — CN disclosed
EP-4121423-A1 TETRAZOLE DERIVATIVES Merck Patent GmbH (DE) 2023-01-25 — — EP disclosed
EP-4121429-A1 CONDENSED PYRIDINE DERIVASTIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS Merck Patent GmbH (DE) 2023-01-25 — — EP disclosed
CN-115443275-A Condensed pyridine derivatives substituted with amide functions as ACSS2 inhibitors 默克专利股份公司 2022-12-06 — — CN disclosed
CN-115335371-A Tetrazole derivatives 默克专利股份公司 2022-11-11 — — CN disclosed
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