SCHEMBL24928599

SCHEMBL24928599

NCC1CC(OCc2ccccc2)CN1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CYP2C19 P33261 1/20 0.39
BDKRB2 P30411 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NOS3 P29474 6/20 0.37
NOS1 P29475 6/20 0.37
NOS2 P35228 6/20 0.37

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
SCHEMBL6238619 1.00 DPP4 (0.44) DPP4CTSLCTSBCTSKBCHE
SCHEMBL2981071 0.86 CTSL (0.43) DPP4CTSLCTSBCTSKBCHE
SCHEMBL14555331 0.86 CTSL (0.43) DPP4CTSLCTSBCTSKBCHE
SCHEMBL6239011 0.85 IDO1 (0.40) NOS3NOS1NOS2
SCHEMBL6236177 0.85 IDO1 (0.40) NOS3NOS1NOS2
SCHEMBL1584174 0.84 CTSL (0.42) DPP4CTSLCTSBCTSKBCHE
SCHEMBL13759699 0.83 BCHE (0.52) CTSLCTSBCTSKBCHEACHE
SCHEMBL19249780 0.83 BCHE (0.52) CTSLCTSBCTSKBCHEACHE
Hydrochloric Acid SCHEMBL2146342 0.83 CTSL (0.41) DPP4CTSLCTSBCTSKBCHE
SCHEMBL27500080 0.83 BCHE (0.52) CTSLCTSBCTSKBCHEACHE

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-2023009585-A2 TRANSTHYRETIN STABILIZING COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2023-02-02 WO disclosed