SCHEMBL31087005

SCHEMBL31087005

OC[C@H]1CNCCN1c1ccncn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.41
FPR2 P25090 1/20 0.39
SCN9A Q15858 1/20 0.39
GSK3B P49841 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
NOS2 P35228 1/20 0.35
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
CHRNA7 P36544 1/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL31087030 0.83 CYP2D6 (0.48) GSK3BSLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL19617795 0.83 HTR2A (0.38) SORDGSK3BSLC6A2SLC6A4SLC6A3
SCHEMBL21360414 0.82 PLD1 (0.54) SORDFPR2SCN9ASLC6A2SLC6A4
SCHEMBL21360320 0.82 PLD1 (0.54) SORDFPR2SCN9ASLC6A2SLC6A4
SCHEMBL21360315 0.79 SORD (0.38) SORDFPR2SCN9AHTR2AHTR2C
Hydrochloric Acid SCHEMBL31087008 0.78 SLC6A2 (0.36) FPR2SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL15106791 0.78 GSK3B (0.40) SORDGSK3BHTR2AHTR2CHTR2B
SCHEMBL27693766 0.78 SORD (0.43) SORD
SCHEMBL28127174 0.77 CUL4A (0.46) SORDNOS2
SCHEMBL28127175 0.77 CUL4A (0.46) SORDNOS2

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