SCHEMBL30823965

SCHEMBL30823965

NC(=O)c1n[nH]c2c1C1CC1CC2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.45
HCAR2 Q8TDS4 9/20 0.36
SLC6A4 P31645 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL30492130 0.71 HCAR2 (0.41) HCAR2SLC6A4
SCHEMBL23780176 0.69 HCAR2 (0.57) HCAR2SLC6A4KMT2ATSHR
SCHEMBL21752518 0.69 HCAR2 (0.57) HCAR2SLC6A4KMT2ATSHR
SCHEMBL4933770 0.69 HCAR2 (0.44) HCAR2SLC6A4
SCHEMBL22887755 0.66 GAA (0.58) RIPK1HCAR2GAANPC1RAB9A
SCHEMBL22888174 0.66 HCAR2 (0.43) RIPK1HCAR2SLC6A4
SCHEMBL31707116 0.65 SIGMAR1 (0.36) HCAR2
SCHEMBL4481593 0.65 HCAR2 (0.73) HCAR2SLC6A4
SCHEMBL22888109 0.63 GAA (0.52) RIPK1HCAR2GAANPC1RAB9A
SCHEMBL5083071 0.62 HCAR2 (0.70) HCAR2GAAKMT2ANPC1RAB9A

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-3760625-B1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2024-03-27 EP claimed