SCHEMBL4292846

SCHEMBL4292846

O=C(N[C@]1(S(=O)(=O)c2cccc3ccccc23)CCCNC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
CNR1 P21554 6/20 0.43
HTR6 P50406 12/20 0.42
HTR1A P08908 4/20 0.40
HTR2B P41595 4/20 0.40
HTR1D P28221 2/20 0.40
HTR7 P34969 2/20 0.40
HTR1B P28222 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
SCHEMBL4005033 0.83 EPHX2 (0.35) EPHX2
SCHEMBL4010678 0.83 HSD11B1 (0.45) EPHX2
SCHEMBL4006938 0.83 L3MBTL1 (0.39) EPHX2
SCHEMBL4001806 0.83 ATM (0.44) EPHX2
SCHEMBL4006999 0.82 EPHX2 (0.47) EPHX2
SCHEMBL4010824 0.82 EIF2AK3 (0.46)
SCHEMBL4006571 0.82 HSD11B1 (0.43)
SCHEMBL4009618 0.81 PKM (0.40) EPHX2
SCHEMBL4005701 0.81 CXCR2 (0.36) EPHX2
SCHEMBL4003470 0.81 CTSS (0.39) EPHX2

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-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed