SCHEMBL23843546

SCHEMBL23843546

CCn1cnc(NC(=O)c2cc3c(cc(C(O)(c4ccccc4)c4ccccc4)n3CC)nc2C)n1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 20/20 0.55

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
SCHEMBL23843438 0.89 ACSS2 (0.61) ACSS2
SCHEMBL25367807 0.84 ACSS2 (0.64) ACSS2
SCHEMBL23843566 0.84 ACSS2 (0.51) ACSS2
SCHEMBL23843576 0.84 ACSS2 (0.57) ACSS2
SCHEMBL23843483 0.83 ACSS2 (0.56) ACSS2
SCHEMBL23843548 0.82 ACSS2 (0.56) ACSS2
SCHEMBL26044492 0.80 ACSS2 (0.59) ACSS2
SCHEMBL23843482 0.80 ACSS2 (0.63) ACSS2
SCHEMBL17267032 0.77 ACSS2 (0.73) ACSS2
SCHEMBL23843479 0.77 ACSS2 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021185789-A1 CONDENSED PYRIDINE DERIVASTIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS MERCK PATENT GMBH (DE) 2021-09-23 — — WO disclosed
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