SCHEMBL30637888

SCHEMBL30637888

NC(=O)c1nc2c(s1)CC1(CC2)CNc2ncccc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.33
▸ MAP3K14 Q99558 1/20 0.32

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
SCHEMBL30637928 0.92 CALCA (0.33) CALCA
SCHEMBL31511804 0.80 CALCA (0.36) CALCA
SCHEMBL30637899 0.75 CALCA (0.34) CALCA
SCHEMBL31511800 0.74 CALCRL (0.38) CALCA
SCHEMBL30637886 0.71 CALCA (0.35) CALCA
SCHEMBL26619068 0.70 CALCRL (0.39) CALCA
SCHEMBL30637910 0.70 CALCRL (0.39) CALCA
SCHEMBL29709345 0.68 OTUD7B (0.40) CALCA
SCHEMBL20066175 0.68 OTUD7B (0.40) CALCA
SCHEMBL18181144 0.67 OTUD7B (0.40) 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 1 patent. 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
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