SCHEMBL7338581

SCHEMBL7338581

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.36
HDAC1 Q13547 5/20 0.36
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
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.33
DRD2 P14416 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 2/20 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
SCHEMBL7347827 0.93 MAPT (0.36) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7348272 0.92 HDAC3 (0.35) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7344082 0.92 HDAC3 (0.35) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7338022 0.92 ALDH1A1 (0.35) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7339526 0.91 HDAC3 (0.34) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7336405 0.91 MAPT (0.37) HDAC3HDAC1MAPTHTTLMNA
SCHEMBL7346426 0.90 MAPT (0.41) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7346836 0.90 HDAC3 (0.36) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL7348293 0.90 MAPT (0.37) MAPTHTTLMNASMN1; SMN2L3MBTL1
SCHEMBL7345651 0.89 DRD2 (0.35) HDAC3HDAC1DRD2

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