SCHEMBL1729018

SCHEMBL1729018

CCc1cnc(C(NC(=O)O)C2CCNCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 7/20 0.43
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 4/20 0.36
CDK2 P24941 1/20 0.36
TP53 P04637 1/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.34
OPRD1 P41143 1/20 0.34
CPB1 P15086 1/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL1728731 0.90 SMYD3 (0.41) SMYD3HTTKMT2AAKT1CDK2
SCHEMBL1729837 0.74 SMYD3 (0.42) SMYD3AKT1CDK2
SCHEMBL4071612 0.69 SMYD3 (0.60) SMYD3AKT1CDK2OPRD1
SCHEMBL1728827 0.68 SMYD3 (0.44) SMYD3AKT1CDK2SLC6A2SLC6A4
SCHEMBL1729058 0.68 F11 (0.45) SMYD3AKT1CDK2SLC6A2
SCHEMBL1728758 0.68 ADRB1 (0.40) SMYD3AKT1CDK2
SCHEMBL3701313 0.68 AKT1 (0.43) SMYD3AKT1CDK2
SCHEMBL1727781 0.67 SMYD3 (0.43) SMYD3AKT1CDK2CPB1
SCHEMBL1729633 0.66 SMYD3 (0.42) SMYD3AKT1CDK2
SCHEMBL27600626 0.66 AKT1 (0.41) SMYD3AKT1CDK2

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