SCHEMBL30457585

SCHEMBL30457585

CNC(C)C(=O)c1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.54
CHRNA1 P02708 2/20 0.54
CHRNG P07510 2/20 0.54
CHRNB1 P11230 2/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA4 P43681 2/20 0.54
SLC6A3 Q01959 2/20 0.54
CHRND Q07001 2/20 0.54
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PARP1 P09874 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL769683 0.82 SLC6A3 (0.68) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL3125040 0.82 CHRNA1 (0.59) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL29922182 0.82 CHRNA1 (0.59) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL31498055 0.81 HDAC8 (0.53) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20472228 0.81 HDAC8 (0.53) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13272856 0.81 HDAC8 (0.53) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL633367 0.80 CHRNA1 (0.58) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL15007152 0.80 CHRNA1 (0.58) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL30310283 0.80 CHRNA1 (0.58) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2599175 0.80 CHRNA1 (0.58) SLC6A2CHRNA1CHRNGCHRNB1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444283-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT Tactogen Inc. (US) 2024-10-16 EP claimed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO claimed
WO-2025111482-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS AT LOW STOICHIOMETRIC RATIOS BEXSON BIOMEDICAL, INC. (US) 2025-05-30 WO disclosed
EP-4525916-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS AT LOW STOICHIOMETRIC RATIOS Bexson Biomedical, Inc. (US) 2025-03-26 EP disclosed
EP-4444283-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT Tactogen Inc. (US) 2024-10-16 EP disclosed
WO-2023225113-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS AT LOW STOICHIOMETRIC RATIOS BEXSON BIOMEDICAL, INC. (US) 2023-11-23 WO disclosed
WO-2023107715-A1 SPECIALIZED COMBINATIONS FOR MENTAL DISORDERS OR MENTAL ENHANCEMENT TACTOGEN INC (US) 2023-06-15 WO disclosed