SCHEMBL7106026

SCHEMBL7106026

O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)C2(Cc3ccc(-c4cccc(C(=S)Nc5ccccc5)c4)cc3)CCCN12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
SCN5A Q14524 1/20 0.36
MCHR1 Q99705 10/20 0.33
CNR1 P21554 3/20 0.33
METAP2 P50579 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL6219120 0.90 CNR1 (0.37) EPHX1EPHX2SCN5AMCHR1CNR1
SCHEMBL4840751 0.88 CNR1 (0.47) EPHX1EPHX2SCN5AMCHR1CNR1
SCHEMBL6218812 0.81 ITGAL (0.36) EPHX1EPHX2SCN5AMCHR1METAP2
SCHEMBL14254759 0.80 ITGAL (0.36) EPHX1EPHX2SCN5AMCHR1METAP2
SCHEMBL14254855 0.79 ITGAL (0.46) EPHX2CNR1METAP2
SCHEMBL6215949 0.78 ITGAL (0.36) EPHX1EPHX2SCN5AMCHR1
SCHEMBL4840734 0.78 EPHX1 (0.36) EPHX1EPHX2SCN5AMCHR1METAP2
SCHEMBL4847326 0.77 ITGAL (0.39) METAP2
SCHEMBL4847498 0.77 ITGAL (0.39) METAP2
SCHEMBL4848864 0.76 LMNA (0.39) MCHR1

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-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 WO disclosed