SCHEMBL7348293

SCHEMBL7348293

COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCNC(N)=O)c1N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 4/20 0.34
ATM Q13315 2/20 0.34
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
SCN9A Q15858 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7347827 0.94 MAPT (0.36) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7336405 0.94 MAPT (0.37) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7346426 0.94 MAPT (0.41) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7337773 0.91 IDO1 (0.37) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7344082 0.90 HDAC3 (0.35) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7338581 0.90 HDAC3 (0.36) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7343215 0.90 MAPT (0.33) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7343212 0.90 MAPT (0.33) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7344087 0.89 MAPT (0.33) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7348272 0.89 HDAC3 (0.35) MAPTHTTLMNASMN1; SMN2L3MBTL1

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