SCHEMBL21609362

SCHEMBL21609362

CCCC(=O)N[C@H](CO)CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 4/20 0.51
PSMB5 P28074 2/20 0.45
CERT1 Q9Y5P4 3/20 0.44
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DNM1 Q05193 1/20 0.40
CTSD P07339 1/20 0.39
MME P08473 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CASP2 P42575 1/20 0.37

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
SCHEMBL7769580 0.86 PLA2G10 (0.70) PLA2G10PSMB5CERT1MEN1FAAH
SCHEMBL7769502 0.86 PLA2G10 (0.70) PLA2G10PSMB5CERT1MEN1FAAH
SCHEMBL7769504 0.86 PLA2G10 (0.70) PLA2G10PSMB5CERT1MEN1FAAH
SCHEMBL13002248 0.86 HDAC3 (0.48) PLA2G10CERT1MEN1FAAHMAPK1
SCHEMBL27105837 0.85 PLA2G10 (0.47) PLA2G10CERT1MMETAS1R3TAS1R1
SCHEMBL4338144 0.84 MME (0.42) PLA2G10CERT1HDAC6MMETAS1R3
SCHEMBL16351240 0.83 DNM1 (0.54) PLA2G10PSMB5MEN1FAAHMAPK1
SCHEMBL24744385 0.82 PARP1 (0.45) CERT1MEN1FAAHMAPK1KMT2A
SCHEMBL10902941 0.80 ALDH1A1 (0.49) PLA2G10MMETAS1R3TAS1R1
SCHEMBL10902934 0.80 ALDH1A1 (0.49) PLA2G10MMETAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112074513-B Pyridine and pyrazine derivatives as preferential cannabinoid 2 agonists 豪夫迈·罗氏有限公司 2024-06-14 CN disclosed
EP-3814337-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PREFERENTIAL CANNABINOID 2 AGONISTS F. Hoffmann-La Roche AG (CH) 2021-05-05 EP disclosed
WO-2020002270-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PREFERENTIAL CANNABINOID 2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2020-01-02 WO disclosed