SCHEMBL7348272

SCHEMBL7348272

COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)NCCCN(C)C)c1N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 4/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSP90AA1 P07900 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
DRD2 P14416 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL7338022 0.97 ALDH1A1 (0.35) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7344082 0.92 HDAC3 (0.35) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7338581 0.92 HDAC3 (0.36) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7347827 0.92 MAPT (0.36) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7337072 0.90 ALDH1A1 (0.34) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7339526 0.89 HDAC3 (0.34) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7336405 0.89 MAPT (0.37) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7346426 0.89 MAPT (0.41) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7346836 0.89 HDAC3 (0.36) HDAC3HDAC1CYP3A4ALDH1A1KMT2A
SCHEMBL7348293 0.89 MAPT (0.37) 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