SCHEMBL7185871

SCHEMBL7185871

O=C1CCCN1c1cccc(-c2ccc(CC34CCCN3C(=O)N(c3cc(Cl)nc(-c5ccc[nH]5)c3)C4=O)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.33
F10 P00742 1/20 0.33
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BRD4 O60885 1/20 0.30
BRDT Q58F21 1/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL4848864 0.84 LMNA (0.39) PARP1F10LMNAHPGDTSHR
SCHEMBL4839852 0.70 ITGAL (0.44)
SCHEMBL4845635 0.70 ITGB2 (0.33)
SCHEMBL6218812 0.69 ITGAL (0.36)
SCHEMBL6215949 0.67 ITGAL (0.36)
SCHEMBL4845339 0.66 P2RX3 (0.36) LMNA
SCHEMBL4840751 0.65 CNR1 (0.47) LMNAHPGDTSHR
SCHEMBL14254855 0.65 ITGAL (0.46) TSHR
SCHEMBL16349444 0.65 ITGAL (0.35) LMNATSHR
SCHEMBL6219120 0.64 CNR1 (0.37) LMNAHPGDTSHR

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