SCHEMBL31087073

SCHEMBL31087073

CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cn2)C[C@@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.48
▸ HDAC1 Q13547 1/20 0.41
▸ NR1H2 P55055 3/20 0.41
▸ NR1H3 Q13133 3/20 0.41
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.38
▸ SRC P12931 4/20 0.38

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
SCHEMBL19990316 1.00 GPR119 (0.48) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL19990317 1.00 GPR119 (0.48) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL31087051 0.89 GPR119 (0.47) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL24963028 0.87 GPR119 (0.47) GPR119NR1H2NR1H3CHRM1CHRM3
SCHEMBL29165873 0.87 GPR119 (0.47) GPR119NR1H2NR1H3CHRM1CHRM3
SCHEMBL31087035 0.86 GPR119 (0.46) GPR119HDAC1NR1H2NR1H3MAPT
SCHEMBL1448125 0.85 GPR119 (0.61) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL12740848 0.85 GPR119 (0.61) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL1448124 0.85 GPR119 (0.61) GPR119HDAC1NR1H2NR1H3CHRM5
SCHEMBL18149393 0.83 ACACB (0.42) CHRM5CHRM1CHRM3SLC6A7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676547-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-01-14 — — EP disclosed
WO-2024186584-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-09-12 — — WO disclosed
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