SCHEMBL30489405

SCHEMBL30489405

NC(=O)c1cc(N2CC(O)C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ GSK3B P49841 4/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ TP53BP1 Q12888 2/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 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
SCHEMBL15289493 0.88 CDK1 (0.50) OPRM1USP30GSK3BCDK1CDK2
SCHEMBL944386 0.86 USP30 (0.43) OPRM1USP30CDK1CDK2TP53BP1
SCHEMBL30489430 0.80 USP30 (0.47) USP30GSK3BCDK2TSHR
SCHEMBL30112012 0.79 GABRG2 (0.38) USP30
SCHEMBL19555968 0.79 GABRG2 (0.38) USP30
SCHEMBL30489402 0.76 OPRM1 (0.39) OPRM1ADORA3TSHRMC4RADRA1A
SCHEMBL15511394 0.76 HRH4 (0.54) TP53BP1
SCHEMBL27691156 0.76 HRH4 (0.50) —
SCHEMBL25797162 0.76 USP30 (0.41) USP30TP53BP1
SCHEMBL2563048 0.75 USP30 (0.39) OPRM1USP30GSK3BTP53BP1

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
EP-3452456-B1 BICYCLIC MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-05 — — EP disclosed
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