SCHEMBL30683617

SCHEMBL30683617

O=C1Nc2ncccc2[C@@]12CCc1[nH]ccc1C2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 6/20 0.41
▸ CALCRL Q16602 12/20 0.40
▸ ADM2 Q7Z4H4 2/20 0.37
▸ CALCB P10092 1/20 0.37
▸ RAMP1 O60894 3/20 0.36

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
SCHEMBL30683661 1.00 CALCA (0.41) CALCACALCRLADM2CALCBRAMP1
Ethoxycarbonyl Group SCHEMBL30683678 0.89 CALCRL (0.37) CALCACALCRLADM2CALCBRAMP1
SCHEMBL30683681 0.88 CALCA (0.45) CALCACALCRLADM2CALCBRAMP1
SCHEMBL30637892 0.80 CALCA (0.41) CALCACALCRLADM2
SCHEMBL30637887 0.78 CALCRL (0.41) CALCACALCRLADM2CALCBRAMP1
SCHEMBL26619455 0.78 CALCRL (0.41) CALCACALCRLADM2CALCBRAMP1
Ethoxycarbonyl Group SCHEMBL26619225 0.78 CALCA (0.40) CALCACALCRLADM2CALCBRAMP1
SCHEMBL29709374 0.77 CALCA (0.42) CALCACALCRLADM2RAMP1
SCHEMBL20066152 0.77 CALCA (0.42) CALCACALCRLADM2RAMP1
SCHEMBL10246001 0.77 CALCRL (0.51) 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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