SCHEMBL7344642

SCHEMBL7344642

COc1cc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
BRD4 O60885 4/20 0.41
BCHE P06276 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOD2 Q9HC29 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.38
MTTP P55157 1/20 0.38

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
SCHEMBL7344390 0.91 RXFP1 (0.42) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL7778679 0.90 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL7344138 0.87 GAA (0.42) BRD4SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL7339781 0.86 MAPT (0.38) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7339934 0.84 AVPR2 (0.40) ALDH1A1
SCHEMBL7342516 0.84 ALDH1A1 (0.41) BRD4KMT2AMEN1MAPTGAA
SCHEMBL7345964 0.83 LMNA (0.49) KMT2AMEN1GAAALDH1A1TP53
SCHEMBL7346417 0.82 TP53 (0.42) BRD4KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7780810 0.82 TP53 (0.42) BRD4KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7778277 0.82 BRD4 (0.52) HDAC1BRD4KMT2AMEN1GAA

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 4 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
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed