SCHEMBL30683657

SCHEMBL30683657

O=C1Nc2ncccc2C12CCc1ncsc1C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC9 Q9UKV0 1/20 0.39
▸ CALCA P06881 5/20 0.38
▸ CALCRL Q16602 11/20 0.38
▸ ADM2 Q7Z4H4 2/20 0.37
▸ CALCB P10092 1/20 0.37
▸ RAMP1 O60894 3/20 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
SCHEMBL30637892 0.79 CALCA (0.41) CALCACALCRLADM2
SCHEMBL30637910 0.78 CALCRL (0.39) CALCACALCRLADM2CALCBRAMP1
SCHEMBL26619068 0.78 CALCRL (0.39) CALCACALCRLADM2CALCBRAMP1
SCHEMBL30683650 0.77 CALCA (0.45) CALCACALCRLADM2CALCBRAMP1
SCHEMBL30683673 0.77 CALCA (0.45) CALCACALCRLADM2CALCBRAMP1
SCHEMBL31511804 0.77 CALCA (0.36) CALCACALCRLADM2CALCBRAMP1
SCHEMBL20066152 0.76 CALCA (0.42) CALCACALCRLADM2RAMP1
SCHEMBL29709374 0.76 CALCA (0.42) CALCACALCRLADM2RAMP1
SCHEMBL16235885 0.75 CALCA (0.46) CALCACALCRLADM2CALCB
SCHEMBL30683617 0.74 CALCA (0.41) CALCACALCRLADM2CALCBRAMP1

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-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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