SCHEMBL28119302

SCHEMBL28119302

COc1c(N)c(OC)c2ccc(C(=O)C(CCCNC(=N)N)NC(=O)CN)c(OC)c2c1OC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.34
NPY1R P25929 9/20 0.34
NPY5R Q15761 9/20 0.34
NPY2R P49146 6/20 0.34
C3AR1 Q16581 1/20 0.31

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
SCHEMBL28151266 0.83 NPY4R (0.35) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL29132349 0.72 C3AR1 (0.35) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL28119580 0.71 C3AR1 (0.34) NPY4RNPY1RNPY5RNPY2RC3AR1
Hydrochloric Acid SCHEMBL28458628 0.71 C3AR1 (0.35) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL1627262 0.68 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RC3AR1
Benzene SCHEMBL6278673 0.67 C3AR1 (0.49) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL29476474 0.67 C3AR1 (0.45) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL187696 0.67 C3AR1 (0.45) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL2116832 0.67 C3AR1 (0.45) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL31135216 0.67 NPY5R (0.39) NPY4RNPY1RNPY5RNPY2R

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-106645721-B A kind of coagulase detection reagent, reacting pad, preparation method and kit 广州鸿琪光学仪器科技有限公司 2018-10-09 CN disclosed
CN-106399459-A Vaginal secretion detection kit and preparation method thereof 广州鸿琪光学仪器科技有限公司 2017-02-15 CN disclosed