SCHEMBL25802995

SCHEMBL25802995

CC(C)N1CC(n2ccnn2)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
NOTUM Q6P988 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
SCHEMBL9963130 0.86 HCAR2 (0.31) HCAR2
SCHEMBL16218243 0.81 EPHX1 (0.38) HCAR2
SCHEMBL12853518 0.78 HCAR2 (0.36) HCAR2
SCHEMBL24781201 0.78
SCHEMBL18294304 0.73 LRRK2 (0.34) HCAR2
SCHEMBL26419235 0.73 HCAR2 (0.33) HCAR2
SCHEMBL9963152 0.73
SCHEMBL12984443 0.72
SCHEMBL12304009 0.72 OPRM1 (0.33) HCAR2
SCHEMBL19239532 0.69 HCAR2 (0.36) HCAR2

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-2023118319-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-06-29 WO disclosed