SCHEMBL30637892

SCHEMBL30637892

O=C1CCC2(C1)C(=O)Nc1ncccc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 5/20 0.41
▸ CALCRL Q16602 11/20 0.40
▸ OTUD7B Q6GQQ9 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADM2 Q7Z4H4 1/20 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
SCHEMBL20066152 0.91 CALCA (0.42) CALCACALCRLOTUD7BCYP1A2SMN1; SMN2
SCHEMBL29709374 0.91 CALCA (0.42) CALCACALCRLOTUD7BCYP1A2SMN1; SMN2
SCHEMBL16235885 0.84 CALCA (0.46) CALCACALCRLOTUD7BCYP1A2SMN1; SMN2
SCHEMBL31456516 0.81 CALCA (0.44) CALCACALCRLOTUD7BCYP1A2SMN1; SMN2
SCHEMBL30087869 0.81 CALCA (0.44) CALCACALCRL
SCHEMBL15999444 0.81 CALCA (0.44) CALCACALCRL
SCHEMBL15699749 0.81 CALCA (0.44) CALCACALCRLOTUD7BCYP1A2SMN1; SMN2
SCHEMBL30683617 0.80 CALCA (0.41) CALCACALCRLADM2
SCHEMBL30683661 0.80 CALCA (0.41) CALCACALCRLADM2
SCHEMBL30087880 0.80 CALCA (0.43) CALCACALCRL

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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