SCHEMBL25045815

SCHEMBL25045815

CN1CCO[C@H](CC#N)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
SLC6A2 P23975 1/20 0.36
STK3 Q13188 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ACKR3 P25106 2/20 0.32
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL27607376 1.00 HRH3 (0.37) HRH3SLC6A2STK3LRRK2ACKR3
SCHEMBL23592559 0.83 NCF1 (0.32)
Thiocyanic Acid SCHEMBL26110665 0.78 HRH3 (0.35) HRH3SLC6A2LRRK2ACKR3
SCHEMBL25111815 0.78
SCHEMBL15038206 0.78
SCHEMBL25111482 0.78
SCHEMBL9936731 0.77 HRH3 (0.41) HRH3SLC6A2ACKR3
SCHEMBL9935790 0.77 HRH3 (0.41) HRH3SLC6A2ACKR3
SCHEMBL22811403 0.77 HRH3 (0.35) HRH3SLC6A2ACKR3
SCHEMBL1753592 0.75

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-2023018809-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 WO disclosed