SCHEMBL28808573

SCHEMBL28808573

NCc1ccc(CC2CCN(C(N)=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FAAH O00519 1/20 0.48
TBK1 Q9UHD2 1/20 0.46

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
SCHEMBL5806708 0.86 MEN1 (0.55) MEN1KMT2A
SCHEMBL12466880 0.85 MEN1 (0.64) GAAMEN1KMT2AFAAH
SCHEMBL22265834 0.79 CYP2C9 (0.48)
SCHEMBL3145386 0.79 KDM4E (0.52)
SCHEMBL12685846 0.77 MEN1 (0.85) MEN1KMT2AFAAH
SCHEMBL22265922 0.76 CCR3 (0.50) MEN1KMT2A
SCHEMBL21763292 0.76 TACR3 (0.71) GAAMEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL12466326 0.76 MEN1 (0.83) MEN1KMT2AFAAH
SCHEMBL12466499 0.76 KMT2A (0.67) MEN1KMT2AFAAH
SCHEMBL12466321 0.76 MEN1 (0.67) MEN1KMT2AFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103339108-A Protease activated receptor 2 (par2) antagonists PROXIMAGEN LTD 2013-10-02 CN claimed
CN-103339108-A Protease activated receptor 2 (par2) antagonists PROXIMAGEN LTD 2013-10-02 CN disclosed