SCHEMBL28297724

SCHEMBL28297724

CN(C(=O)c1cc[nH]n1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.44
GRM5 P41594 5/20 0.37
CNR1 P21554 1/20 0.35

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
SCHEMBL2078311 0.81 SMN1; SMN2 (0.39)
SCHEMBL20588923 0.78
SCHEMBL4307277 0.78
SCHEMBL10593163 0.77
SCHEMBL21835593 0.76 MLYCD (0.38)
SCHEMBL18048118 0.75 PAX8 (0.30)
SCHEMBL5285523 0.74 ALDH1A1 (0.47)
Trimethylammonium SCHEMBL27464061 0.73 HCAR2 (0.39)
SCHEMBL10110792 0.73 GABRP (0.37)
SCHEMBL6003817 0.72 KDM4E (0.50)

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
CN-105473596-B Pyrazole compound and application thereof as follicle-stimulating hormone receptor regulator 默克专利有限公司 2019-04-30 CN disclosed