SCHEMBL4059753

SCHEMBL4059753

O=C(O)NCCCCN1c2ccc(F)cc2NS1(O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ALOX15 P16050 2/20 0.35
DRD2 P14416 2/20 0.32
HTR3A P46098 1/20 0.32
DRD4 P21917 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
ACHE P22303 1/20 0.32
ASAH1 Q13510 1/20 0.31
CCR3 P51677 1/20 0.31

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
SCHEMBL4059747 0.79 ATM (0.32)
SCHEMBL4947044 0.77 CNR1 (0.31) RAB9ACNR1CNR2
SCHEMBL4053695 0.70 RAB9A (0.40) RAB9ACNR1CNR2ALOX15DRD2
SCHEMBL4056113 0.68 SLC6A2 (0.42) RAB9ADRD2DRD4HTR1AHTR2C
SCHEMBL4943708 0.67 SLC6A2 (0.43) RAB9ADRD2DRD4HTR1AHTR2C
SCHEMBL4061460 0.66 SLC6A2 (0.38) DRD2DRD4HTR1AHTR2CDRD3
SCHEMBL4053143 0.66 SLC6A2 (0.42) RAB9ADRD2HTR1AHTR2CDRD3
SCHEMBL4940915 0.63 SLC6A2 (0.46) CNR1CNR2DRD2HTR3ADRD3
SCHEMBL5791704 0.62 KMT2A (0.51) RAB9AHTR3A
SCHEMBL14631807 0.62 RAB9A (0.41) RAB9A

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-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed