SCHEMBL25958835

SCHEMBL25958835

N=C(Br)c1cnc(C(=O)N2CCCC(O)CC2)cc1N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
TRPC6 Q9Y210 9/20 0.36
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PCSK9 Q8NBP7 1/20 0.35
CNR1 P21554 1/20 0.35
HTR2C P28335 1/20 0.35
PTK2 Q05397 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL25958758 0.95 ALOX5AP (0.38) TRPC6ALOX5APFEN1L3MBTL3L3MBTL1
SCHEMBL25958653 0.87 ALDH1A1 (0.42) L3MBTL3L3MBTL1CNR1PTK2DPP4
SCHEMBL25958662 0.81 SMN1; SMN2 (0.45) ALOX5APFEN1HTR2C
SCHEMBL25958594 0.81 SCN9A (0.40) SCN9ATRPC6L3MBTL3L3MBTL1PCSK9
SCHEMBL25959315 0.79 SCN9A (0.41) SCN9AALOX5APFEN1L3MBTL3L3MBTL1
SCHEMBL25958792 0.77 VNN1 (0.40) ALOX5APFEN1DPP4
SCHEMBL25958773 0.77 SCN9A (0.36) SCN9ATRPC6
SCHEMBL25958496 0.75 TRPC6 (0.39) SCN9ATRPC6L3MBTL3L3MBTL1PCSK9
SCHEMBL25959229 0.74 PCSK9 (0.39) SCN9ATRPC6ALOX5APFEN1PCSK9
SCHEMBL25958516 0.72 TRPC6 (0.38) SCN9ATRPC6ALOX5APFEN1L3MBTL3

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
EP-3870582-B1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2023-07-19 EP disclosed