SCHEMBL30656552

SCHEMBL30656552

NC1CCC(N2CC[C@@H]3C[C@H]2c2cc(-c4cccc(C(F)(F)F)c4)ccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.53
KDM1A O60341 8/20 0.46
MAOB P27338 5/20 0.46
MAOA P21397 3/20 0.46
TMEM97 Q5BJF2 1/20 0.43
IDH2 P48735 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
PNMT P11086 1/20 0.35
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL26828960 1.00 SIGMAR1 (0.53) SIGMAR1KDM1AMAOBMAOATMEM97
SCHEMBL26665001 1.00 SIGMAR1 (0.53) SIGMAR1KDM1AMAOBMAOATMEM97
SCHEMBL30656611 1.00 SIGMAR1 (0.53) SIGMAR1KDM1AMAOBMAOATMEM97
SCHEMBL26665066 1.00 SIGMAR1 (0.53) SIGMAR1KDM1AMAOBMAOATMEM97
SCHEMBL26829071 0.87 SIGMAR1 (0.54) SIGMAR1KDM1AMAOBMAOATMEM97
SCHEMBL26665027 0.87 SIGMAR1 (0.54) SIGMAR1KDM1AMAOBMAOATMEM97
SCHEMBL26664998 0.83 SIGMAR1 (0.47) SIGMAR1KDM1AMAOBMAOATMEM97
SCHEMBL26665031 0.83 SIGMAR1 (0.47) SIGMAR1KDM1AMAOBMAOATMEM97
SCHEMBL18100594 0.81 SIGMAR1 (0.68) SIGMAR1TMEM97KDM2B
SCHEMBL30656546 0.79 SIGMAR1 (0.45) SIGMAR1KDM1AMAOBMAOATMEM97

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-4525879-A2 SELECTIVE SIGMA-2 RECEPTOR LIGANDS AS MODULATORS OF TMEM97 Board of Regents, The University of Texas System (US) 2025-03-26 EP disclosed
WO-2023225563-A2 SELECTIVE SIGMA-2 RECEPTOR LIGANDS AS MODULATORS OF TMEM97 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-23 WO disclosed