SCHEMBL20181606

SCHEMBL20181606

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nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL20181300 0.81 KDM4E (0.32) KDM4ECYP2D6CYP2C19BLMNPSR1
SCHEMBL27470417 0.78 PMP22 (0.35) PMP22KDM4ECYP2C19BLMTP53
SCHEMBL8515868 0.78 PMP22 (0.35) PMP22KDM4ECYP2C19BLMTP53
SCHEMBL27635838 0.73 PMP22 (0.35) PMP22CYP2D6CYP2C19
SCHEMBL10425679 0.71
SCHEMBL7354948 0.70 SLC22A6 (0.39) PMP22
SCHEMBL5689593 0.70 SLC22A6 (0.39) PMP22
SCHEMBL16232092 0.70 ALDH1A1 (0.50) PMP22
SCHEMBL295045 0.68
SCHEMBL27905526 0.67 TP53 (0.34) PMP22TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018093580-A1 TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed