SCHEMBL30637928

SCHEMBL30637928

NC(=O)c1nc2c(s1)CC1(CNc3ncccc31)C2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.33

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
SCHEMBL30637888 0.92 CALCA (0.33) CALCA
SCHEMBL31511800 0.79 CALCRL (0.38) CALCA
SCHEMBL31511804 0.74 CALCA (0.36) CALCA
SCHEMBL30637899 0.73 CALCA (0.34) CALCA
SCHEMBL30637936 0.69 CALCA (0.37) CALCA
SCHEMBL30637905 0.68 CALCRL (0.40) CALCA
SCHEMBL29517935 0.67 CALCRL (0.41) CALCA
SCHEMBL18181144 0.66 OTUD7B (0.40) CALCA
SCHEMBL31212132 0.66 OTUD7B (0.40) CALCA
SCHEMBL31511795 0.65 CALCRL (0.38) CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003762-A Piperidine formamide aza indane derivative, preparation method and application thereof 熙源安健医药(上海)有限公司 2023-11-07 — — CN disclosed
WO-2023208124-A1 PIPERIDINE CARBOXAMIDE AZAINDANE DERIVATIVE, METHOD FOR PREPARING SAME, AND USE THEREOF 熙源安健医药(上海)有限公司 2023-11-02 — — WO disclosed
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