SCHEMBL8414604

SCHEMBL8414604

COc1ccc(CNC(=O)c2cc(Br)ccc2NC(=O)N2CCC(C(=O)O)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
DRD2 P14416 3/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
PDE5A O76074 5/20 0.44
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
HPGD P15428 1/20 0.42
CCR5 P51681 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8296702 0.90 TSHR (0.52) LMNAMAPTGAACCR5POLB
SCHEMBL8293088 0.88 NPC1 (0.46) LMNADRD2DRD4DRD3PDE5A
SCHEMBL8293091 0.88 NPC1 (0.46) LMNADRD2DRD4DRD3PDE5A
SCHEMBL8293460 0.83 MAPT (0.52) LMNAPDE5AMAPTGAAPOLB
SCHEMBL8436830 0.80 GAA (0.54) LMNAGAAPOLB
SCHEMBL8292542 0.79 PDE5A (0.53) LMNAPDE5AGAA
SCHEMBL8292075 0.79 NPC1 (0.47) LMNAPDE5AMAPTGAAHPGD
SCHEMBL8292073 0.79 NPC1 (0.47) LMNAPDE5AMAPTGAAHPGD
SCHEMBL6939363 0.79 GAA (0.48) LMNADRD2DRD4DRD3PDE5A
SCHEMBL8572500 0.78 DRD2 (0.44) LMNADRD2DRD4DRD3PDE5A

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-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed