SCHEMBL1729045

SCHEMBL1729045

O=C(O)NC(c1cc(-c2ccccc2)ncn1)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.45
SMYD3 Q9H7B4 8/20 0.42
KMO O15229 1/20 0.41
AKT1 P31749 4/20 0.40
CDK2 P24941 1/20 0.40
SMO Q99835 1/20 0.37
FLT3 P36888 1/20 0.36
SLC6A2 P23975 1/20 0.36
PDPK1 O15530 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL1729063 0.81 SMYD3 (0.42) SMYD3AKT1CDK2SLC6A2
SCHEMBL1729058 0.77 F11 (0.45) F11SMYD3AKT1CDK2SMO
SCHEMBL3701313 0.77 AKT1 (0.43) SMYD3AKT1CDK2
SCHEMBL4071612 0.74 SMYD3 (0.60) SMYD3AKT1CDK2
SCHEMBL1728006 0.73 P4HTM (0.37) SMYD3AKT1CDK2
SCHEMBL1727688 0.72 SMYD3 (0.43) SMYD3AKT1CDK2SLC6A2
SCHEMBL1728827 0.70 SMYD3 (0.44) SMYD3AKT1CDK2SLC6A2
SCHEMBL27600626 0.70 AKT1 (0.41) SMYD3AKT1CDK2
SCHEMBL13294930 0.69 MIF (0.46) KMO
SCHEMBL2333984 0.68 AKT1 (0.45) SMYD3AKT1CDK2SLC6A2

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed