SCHEMBL7203833

SCHEMBL7203833

CNC(=O)OC1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)C(C(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
CNR2 P34972 1/20 0.45
UCHL1 P09936 1/20 0.43
PIK3CA P42336 2/20 0.42
FFAR2 O15552 1/20 0.42
GSTO1 P78417 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
USP30 Q70CQ3 6/20 0.42
KDR P35968 1/20 0.42
NPY5R Q15761 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
SCD O00767 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL7203669 0.72 MKNK1 (0.50) MKNK1CNR2UCHL1FFAR2GSTO1
SCHEMBL14407987 0.69 CNR2 (0.64) MKNK1CNR2UCHL1GSTO1USP30
SCHEMBL14408002 0.69 CNR2 (0.58) MKNK1CNR2UCHL1GSTO1USP30
SCHEMBL14408008 0.68 CNR2 (0.59) MKNK1CNR2UCHL1GSTO1USP30
SCHEMBL14408007 0.68 CNR2 (0.59) MKNK1CNR2UCHL1GSTO1USP30
SCHEMBL14408031 0.68 CKS1B (0.56) MKNK1CNR2UCHL1FFAR2USP30
SCHEMBL28014843 0.68 KDR (0.62) MKNK1UCHL1FFAR2GSTO1USP30
SCHEMBL20883060 0.67 MKNK1 (0.57) MKNK1CNR2UCHL1FFAR2GSTO1
SCHEMBL14408015 0.67 MKNK1 (0.53) MKNK1CNR2UCHL1PIK3CAGSTO1
SCHEMBL7203842 0.67 CNR2 (0.53) MKNK1CNR2UCHL1FFAR2GSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003015778-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed