SCHEMBL30683665

SCHEMBL30683665

NC(=O)c1cc2c([nH]1)CCC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 13/20 0.40
▸ ADM2 Q7Z4H4 5/20 0.40
▸ CALCB P10092 4/20 0.40
▸ RAMP1 O60894 5/20 0.39
▸ CALCA P06881 2/20 0.39

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
SCHEMBL26619455 0.91 CALCRL (0.41) CALCRLADM2CALCBRAMP1CALCA
SCHEMBL30637887 0.91 CALCRL (0.41) CALCRLADM2CALCBRAMP1CALCA
SCHEMBL31511793 0.90 CALCRL (0.44) CALCRLADM2CALCBRAMP1CALCA
SCHEMBL30637900 0.84 CALCRL (0.41) CALCRLADM2CALCBRAMP1CALCA
SCHEMBL30637925 0.84 CALCRL (0.41) CALCRLADM2CALCBRAMP1CALCA
SCHEMBL30637997 0.84 CALCRL (0.41) CALCRLADM2CALCBRAMP1CALCA
SCHEMBL30637931 0.84 CALCRL (0.41) CALCRLADM2CALCBRAMP1CALCA
SCHEMBL26619165 0.84 CALCRL (0.41) CALCRLADM2CALCBRAMP1CALCA
SCHEMBL30637904 0.84 CALCRL (0.41) CALCRLADM2CALCBRAMP1CALCA
SCHEMBL30637945 0.81 CALCRL (0.45) CALCRLADM2CALCBRAMP1CALCA

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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