SCHEMBL7203842

SCHEMBL7203842

CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
MKNK1 Q9BUB5 1/20 0.51
NPY5R Q15761 2/20 0.48
USP30 Q70CQ3 10/20 0.45
UCHL1 P09936 1/20 0.45
FFAR2 O15552 1/20 0.44
KDR P35968 1/20 0.44
GSTO1 P78417 1/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
SCD O00767 1/20 0.41

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
SCHEMBL5353928 0.87 CNR2 (0.59) CNR2MKNK1NPY5RUSP30UCHL1
SCHEMBL14408005 0.82 CNR2 (0.62) CNR2MKNK1NPY5RUSP30UCHL1
SCHEMBL14408031 0.81 CKS1B (0.56) CNR2MKNK1NPY5RUSP30UCHL1
SCHEMBL5349433 0.80 CNR2 (0.62) CNR2MKNK1NPY5RUSP30FFAR2
SCHEMBL14332861 0.79 GPR119 (0.48) MKNK1USP30
SCHEMBL14407987 0.78 CNR2 (0.64) CNR2MKNK1NPY5RUSP30UCHL1
SCHEMBL28497363 0.76 MKNK1 (0.67) CNR2MKNK1USP30UCHL1
SCHEMBL19296045 0.76 MKNK1 (0.67) CNR2MKNK1USP30UCHL1
SCHEMBL14333281 0.76 MKNK1 (0.46) CNR2MKNK1NPY5RUSP30UCHL1
SCHEMBL14332817 0.76 MKNK1 (0.48) CNR2MKNK1NPY5RUSP30UCHL1

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