SCHEMBL29295665

SCHEMBL29295665

OC1CCO[C@H](COCc2ccccc2)CNC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HRH4 Q9H3N8 4/20 0.42
HRH3 Q9Y5N1 4/20 0.42
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 1/20 0.37
HTR2C P28335 1/20 0.36
PTPN1 P18031 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL1564708 0.85 LMNA (0.46) LMNAHRH4HRH3SLC6A2DRD1
SCHEMBL15419089 0.85 LMNA (0.46) LMNAHRH4HRH3SLC6A2DRD1
SCHEMBL18535611 0.85 LMNA (0.46) LMNAHRH4HRH3SLC6A2DRD1
SCHEMBL1566210 0.85 LMNA (0.46) LMNAHRH4HRH3SLC6A2DRD1
SCHEMBL29295667 0.84 LMNA (0.47) LMNAHRH4HRH3BCHEACHE
SCHEMBL3031655 0.83 SLC6A2 (0.55) LMNAHRH4HRH3BCHEACHE
SCHEMBL971425 0.83 SLC6A2 (0.55) LMNAHRH4HRH3BCHEACHE
SCHEMBL971427 0.83 SLC6A2 (0.55) LMNAHRH4HRH3BCHEACHE
SCHEMBL10420228 0.82 LMNA (0.54) LMNAHRH4HRH3BCHEACHE
SCHEMBL19559233 0.82 LMNA (0.54) LMNAHRH4HRH3BCHEACHE

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
WO-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 WO disclosed