SCHEMBL24371191

SCHEMBL24371191

CCOC(=O)c1nnc(-c2cc(C#N)ccc2OC2CC2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ GPR6 P46095 3/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ DGAT2 Q96PD7 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL23069493 0.88 CA1 (0.46) CA1CA2GABRA1GABRG2GABRB3
SCHEMBL29470221 0.88 CA1 (0.46) CA1CA2GABRA1GABRG2GABRB3
SCHEMBL24371144 0.85 GPR6 (0.40) GPR6DGAT2DGAT1SOAT1
SCHEMBL25208574 0.84 CA1 (0.43) CA1CA2GABRA1GABRG2GABRB3
SCHEMBL30474026 0.84 CA1 (0.43) CA1CA2GABRA1GABRG2GABRB3
SCHEMBL24073197 0.82 CA1 (0.42) CA1CA2HTTHSD17B10TSHR
SCHEMBL26388435 0.82 GABRA1 (0.40) GPR6GABRA1GABRG2GABRB3GABRA5
SCHEMBL29545695 0.81 CA1 (0.49) CA1CA2GABRA1GABRG2GABRB3
SCHEMBL24370925 0.81 CA1 (0.49) CA1CA2GABRA1GABRG2GABRB3
SCHEMBL24370922 0.76 GPR6 (0.40) GPR6DGAT2KCNH2DGAT1SOAT1

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-2022084479-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2022-04-28 — — WO disclosed
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