SCHEMBL6440516

SCHEMBL6440516

O=C(O)N1CCC(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.49
KEAP1 Q14145 4/20 0.42
CCR2 P41597 4/20 0.42
CCR1 P32246 1/20 0.42
NFE2L2 Q16236 3/20 0.41
HRH1 P35367 2/20 0.41
CCR3 P51677 2/20 0.41
ACLY P53396 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
G6PD P11413 1/20 0.41
CFTR P13569 1/20 0.41
FABP4 P15090 1/20 0.41
RAB9A P51151 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
GOPC Q9HD26 1/20 0.41
KCNA5 P22460 1/20 0.40

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
SCHEMBL1775648 1.00 HKDC1 (0.49) HKDC1KEAP1CCR2CCR1NFE2L2
SCHEMBL1775450 1.00 HKDC1 (0.49) HKDC1KEAP1CCR2CCR1NFE2L2
SCHEMBL1776784 0.94 HKDC1 (0.51) HKDC1KEAP1CCR2CCR1NFE2L2
SCHEMBL1774545 0.89 KEAP1 (0.56) HKDC1KEAP1NFE2L2
SCHEMBL1775565 0.87 STS (0.53) HKDC1
SCHEMBL1777387 0.87 STS (0.53) HKDC1
SCHEMBL1775295 0.84 CCR2 (0.44) CCR2MEN1POLBKMT2A
SCHEMBL1774949 0.83 KEAP1 (0.58) HKDC1KEAP1NFE2L2
SCHEMBL1775632 0.78 CCR2 (0.45) CCR2MEN1POLBKMT2A
SCHEMBL1775566 0.77 HKDC1 (0.45) HKDC1KEAP1CCR2CCR1NFE2L2

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
EP-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 WO disclosed