SCHEMBL7336405

SCHEMBL7336405

COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCN)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCN9A Q15858 1/20 0.34
DRD2 P14416 4/20 0.34
ATM Q13315 2/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
NPC1 O15118 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
SCHEMBL7346426 0.94 MAPT (0.41) MAPTHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL7348293 0.94 MAPT (0.37) MAPTHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL7347827 0.93 MAPT (0.36) MAPTHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL7337773 0.91 IDO1 (0.37) MAPTHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL7338581 0.91 HDAC3 (0.36) MAPTHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL7348272 0.89 HDAC3 (0.35) MAPTHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL7338022 0.89 ALDH1A1 (0.35) MAPTHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL7344082 0.89 HDAC3 (0.35) MAPTHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL7343215 0.89 MAPT (0.33) MAPTHTTL3MBTL1LMNASMN1; SMN2
SCHEMBL7337072 0.89 ALDH1A1 (0.34) MAPTHTTL3MBTL1LMNASMN1; SMN2

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed