SCHEMBL22747862

SCHEMBL22747862

CC(=O)NCCOC(=O)c1c(N2CCCCC2)c2cc(Cl)c(Cl)cc2n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.41
MAPK9 P45984 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPK10 P53779 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
SCHEMBL22760133 0.84 MAPK8 (0.46) MAPK8MAPK9MAPK10
SCHEMBL22760427 0.84 MAPK8 (0.40) MAPK8MTNR1AMTNR1B
SCHEMBL22747915 0.79 ALDH1A1 (0.40) MAPK8
SCHEMBL22747837 0.79 ALDH1A1 (0.45)
SCHEMBL22760089 0.77 HPGD (0.44)
SCHEMBL22760184 0.75 MAPK8 (0.48) MAPK8MAPK9
SCHEMBL22748257 0.74 MAPT (0.48) MAPK8MAPK9
SCHEMBL22760058 0.72 ALDH1A1 (0.39)
SCHEMBL22747827 0.72 SMN1; SMN2 (0.42)
SCHEMBL22760060 0.72 NOTUM (0.40)

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
WO-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed
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