Crisugabalin

Crisugabalin

SCHEMBL28524348

NC[C@]1(CC(=O)O)[C@@H]2CC[C@@H]3C[C@H]2[C@H]1C3

nearest known ligand 0.35

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 3/20 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
Crisugabalin SCHEMBL19982340 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2
Crisugabalin SCHEMBL19982295 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2
Crisugabalin SCHEMBL21144566 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2
Crisugabalin SCHEMBL24631233 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2
Crisugabalin SCHEMBL21144567 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2
Crisugabalin SCHEMBL23080519 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2
Crisugabalin SCHEMBL23071142 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2
Crisugabalin SCHEMBL23080592 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2
Crisugabalin SCHEMBL21621701 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2
Crisugabalin SCHEMBL19982362 1.00 POLB (0.35) POLBUSP2ALDH1A1LMNACYP1A2

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-112384493-A Process for the preparation of fused tricyclic gamma-amino acid derivatives and intermediates 四川海思科制药有限公司 2021-02-19 CN disclosed