SCHEMBL22747880

SCHEMBL22747880

O=C(O)c1c(C2COCCN2)c2c(Cl)c(F)ccc2n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.39
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
REN P00797 2/20 0.30
MALT1 Q9UDY8 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
SCHEMBL22747836 0.90 EDNRA (0.36) EDNRAMAPK8MAPK9MALT1
SCHEMBL22747877 0.78 KCNH2 (0.38) EDNRA
SCHEMBL22747875 0.76 EDNRA (0.36) EDNRAMAPK8REN
SCHEMBL22747879 0.75 HPGD (0.42) EDNRAMAPK8MAPK9
SCHEMBL22760496 0.71 REN (0.40) EDNRAREN
SCHEMBL31444533 0.70 CSNK1D (0.36)
SCHEMBL22748355 0.69 EDNRA (0.40) EDNRARENMALT1
SCHEMBL22760177 0.69 AKR1C3 (0.44) EDNRA
SCHEMBL22760062 0.69 EDNRA (0.39) EDNRAMAPK8MAPK9
SCHEMBL22760063 0.68 EDNRA (0.39) EDNRARENMALT1

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
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
CN-112028815-A Indole derivatives and medical application thereof 中国药科大学 2020-12-04 CN disclosed