SCHEMBL25797162

SCHEMBL25797162

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.41
▸ CTSA P10619 1/20 0.36
▸ ACACB O00763 8/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ ADORA1 P30542 4/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.34
▸ TP53BP1 Q12888 1/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ CHRM4 P08173 1/20 0.32
▸ HRH4 Q9H3N8 1/20 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
SCHEMBL30489405 0.76 OPRM1 (0.39) USP30TP53BP1
SCHEMBL25807049 0.72 SMYD3 (0.43) CTSASMYD3ADORA1
SCHEMBL30112012 0.71 GABRG2 (0.38) USP30ACACB
SCHEMBL19555968 0.71 GABRG2 (0.38) USP30ACACB
SCHEMBL25797141 0.70 DDR1 (0.49) ABL1
SCHEMBL25804854 0.70 LRRK2 (0.43) SMYD3ADORA1
SCHEMBL31565272 0.69 TNKS (0.54) —
SCHEMBL15752631 0.69 LNPEP (0.37) ACACBPROKR1CHRM4
SCHEMBL15710131 0.68 AOC3 (0.37) ACACBPROKR1CHRM4
SCHEMBL25804972 0.68 KDR (0.36) SMYD3

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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