SCHEMBL8514657

SCHEMBL8514657

COc1cc(C(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.36
NPY4R P50391 4/20 0.36
NPY5R Q15761 3/20 0.36
NPY2R P49146 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSD P07339 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
QRFPR Q96P65 1/20 0.35
PRKACB P22694 1/20 0.35
TGM2 P21980 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
BMP1 P13497 2/20 0.34

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
Hydrochloric Acid SCHEMBL28458664 0.99 NPY1R (0.36) NPY1RNPY4RNPY5RNPY2RCYP1A2
SCHEMBL28595326 0.86 KDM4E (0.38) NPY1RNPY4RNPY5RNPY2RMAPT
SCHEMBL28595330 0.86 KDM4E (0.38) NPY1RNPY4RNPY5RNPY2RMAPT
SCHEMBL6696292 0.85 PTGER4 (0.46)
Hydrochloric Acid SCHEMBL28458668 0.85 KDM4E (0.38) NPY1RNPY4RNPY5RNPY2RMAPT
SCHEMBL8515668 0.83 HDAC1 (0.45) NPY1RNPY4RNPY5RNPY2RTGM2
SCHEMBL4301229 0.83 PTGER4 (0.44) NPY1RNPY4RNPY5RTGM2
SCHEMBL5053920 0.82 PSMB1 (0.47) NPY1RNPY4RNPY5RNPY2RTGM2
SCHEMBL29132349 0.76 C3AR1 (0.35) NPY1RNPY4RNPY5RNPY2RQRFPR
SCHEMBL2184305 0.76 FAP (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114317678-B Biological paper chip, high-throughput multi-detection microplate device, preparation method and kit for vaginal inflammation multi-detection 港龙生物技术(深圳)有限公司 2023-11-10 CN disclosed
EP-3269822-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M Innovative Properties Company (US) 2018-01-17 EP disclosed
EP-2643471-B1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES CO (US) 2017-08-30 EP disclosed
US-9435739-B2 Methods and compositions to detect a biological activity 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-06 US disclosed
EP-2643471-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M Innovative Properties Company (US) 2013-10-02 EP disclosed
US-20130230876-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-09-05 US disclosed
WO-2012071131-A1 METHODS AND COMPOSITIONS TO DETECT A BIOLOGICAL ACTIVITY 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-31 WO disclosed