SCHEMBL14408002

SCHEMBL14408002

O=C(Nc1ncc(-c2ccccc2)s1)N1CCC(Oc2ncccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.58
MKNK1 Q9BUB5 1/20 0.53
EPHX2 P34913 3/20 0.53
NPY5R Q15761 2/20 0.52
UCHL1 P09936 1/20 0.49
GSTO1 P78417 1/20 0.49
KDR P35968 1/20 0.49
USP30 Q70CQ3 6/20 0.48
CYP2C9 P11712 2/20 0.46
CYP2J2 P51589 2/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
SCD O00767 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACP1 P24666 1/20 0.44
CNR1 P21554 1/20 0.43

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
SCHEMBL14407987 0.82 CNR2 (0.64) CNR2MKNK1NPY5RUCHL1GSTO1
SCHEMBL14408005 0.81 CNR2 (0.62) CNR2MKNK1NPY5RUCHL1GSTO1
SCHEMBL14408032 0.80 CNR2 (0.61) CNR2MKNK1NPY5RUCHL1GSTO1
SCHEMBL14415213 0.80 CNR2 (0.69) CNR2MKNK1NPY5RUCHL1GSTO1
SCHEMBL14407986 0.79 GAA (0.62) CNR2MKNK1NPY5RUCHL1GSTO1
SCHEMBL14408019 0.79 CNR2 (0.66) CNR2MKNK1NPY5RUCHL1GSTO1
SCHEMBL14408008 0.78 CNR2 (0.59) CNR2MKNK1NPY5RUCHL1GSTO1
SCHEMBL14408007 0.78 CNR2 (0.59) CNR2MKNK1NPY5RUCHL1GSTO1
SCHEMBL5353923 0.78 CNR2 (0.59) CNR2MKNK1NPY5RUCHL1GSTO1
SCHEMBL5353928 0.78 CNR2 (0.59) CNR2MKNK1NPY5RUCHL1GSTO1

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
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed