SCHEMBL2329433

SCHEMBL2329433

O=C(O)NC(c1nccc(Cl)n1)C1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.41
CDK2 P24941 2/20 0.36
SMYD3 Q9H7B4 1/20 0.34
MAPK1 P28482 4/20 0.34

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
SCHEMBL6066725 0.77 AAK1 (0.44) AKT1CDK2SMYD3
SCHEMBL1728758 0.75 ADRB1 (0.40) AKT1CDK2SMYD3MAPK1
SCHEMBL1729058 0.75 F11 (0.45) AKT1CDK2SMYD3
SCHEMBL27600626 0.73 AKT1 (0.41) AKT1CDK2SMYD3
SCHEMBL16829686 0.69 SLC6A2 (0.36) AKT1CDK2SMYD3
SCHEMBL2333984 0.67 AKT1 (0.45) AKT1CDK2SMYD3
SCHEMBL3701313 0.65 AKT1 (0.43) AKT1CDK2SMYD3
SCHEMBL9996442 0.64 SLC6A2 (0.47) AKT1CDK2
SCHEMBL3611081 0.64 SLC6A2 (0.47) AKT1CDK2
SCHEMBL9996440 0.64 SLC6A2 (0.47) AKT1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed