SCHEMBL29295667

SCHEMBL29295667

OC1CCNC[C@@H](COCc2ccccc2)OC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRM3 P20309 1/20 0.41
CHRNA4 P43681 1/20 0.41
HRH4 Q9H3N8 4/20 0.40
HRH3 Q9Y5N1 4/20 0.40
SLC6A2 P23975 3/20 0.40
HTR1A P08908 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ADRB2 P07550 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
ADRA2C P18825 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 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
SCHEMBL25309758 0.85 LMNA (0.48) LMNAHRH4HRH3SLC6A2TAAR1
SCHEMBL1566074 0.85 LMNA (0.48) LMNAHRH4HRH3SLC6A2TAAR1
SCHEMBL417603 0.85 LMNA (0.48) LMNAHRH4HRH3SLC6A2TAAR1
SCHEMBL25308726 0.85 LMNA (0.48) LMNAHRH4HRH3SLC6A2TAAR1
SCHEMBL29295665 0.84 LMNA (0.49) LMNAHRH4HRH3SLC6A2HTR1A
SCHEMBL971425 0.84 SLC6A2 (0.55) LMNAHRH4HRH3SLC6A2HTR1A
SCHEMBL971427 0.84 SLC6A2 (0.55) LMNAHRH4HRH3SLC6A2HTR1A
SCHEMBL3031655 0.84 SLC6A2 (0.55) LMNAHRH4HRH3SLC6A2HTR1A
SCHEMBL29295670 0.82 LMNA (0.45) LMNACHRM2CHRM1CHRNB2CHRM3
SCHEMBL25308921 0.79 LMNA (0.48) LMNAHRH4HRH3SLC6A2TAAR1

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