SCHEMBL29270805

SCHEMBL29270805

CC(C)(C[C@H]1CSc2cc(Cl)c(-c3nnc(C(C)(C)C)o3)cc2N(Cc2ccc(Cl)cc2)C1=O)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.34

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
SCHEMBL29270777 0.94 CLK1 (0.33) CNR2
SCHEMBL29270701 0.94 CNR2 (0.32) CNR2
SCHEMBL29270844 0.93 CNR2 (0.32) CNR2
SCHEMBL29270721 0.93 CNR2 (0.32) CNR2
SCHEMBL29270765 0.88 TP53 (0.30) —
SCHEMBL29270727 0.86 CNR2 (0.32) CNR2
SCHEMBL29270806 0.84 MDM2 (0.32) —
SCHEMBL29270734 0.84 TP53 (0.31) —
SCHEMBL29797063 0.81 CNR2 (0.36) CNR2
SCHEMBL26962025 0.81 CNR2 (0.36) CNR2

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
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 — — CN disclosed
Send feedback