SCHEMBL7370349

SCHEMBL7370349

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)O)ccc1NC(=O)c1ccccc1-c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNMA1 Q12791 1/20 0.39
EPHX1 P07099 1/20 0.39
PYGL P06737 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MTTP P55157 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
AVPR2 P30518 1/20 0.38
AVPR1A P37288 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
SCHEMBL7377093 0.93 AVPR2 (0.43) GAATP53MAPTHTTHSP90AA1
SCHEMBL7369597 0.93 MEN1 (0.39) GAATP53ALDH1A1MAPTHTT
SCHEMBL7372148 0.92 MTTP (0.44) GAATP53ALDH1A1MAPTHTT
SCHEMBL7335216 0.90 MEN1 (0.46) GAATP53MAPTHTTHSP90AA1
SCHEMBL7376477 0.90 MTTP (0.42) GAATP53ALDH1A1MTTPAVPR2
SCHEMBL7373504 0.89 GAA (0.41) GAATP53ALDH1A1MAPTKCNMA1
SCHEMBL7374237 0.89 MEN1 (0.39) GAATP53ALDH1A1MAPTHTT
SCHEMBL7375572 0.89 AVPR2 (0.47) MTTPAVPR2AVPR1AAVPR1B
SCHEMBL8812490 0.88 TP53 (0.41) GAATP53ALDH1A1MAPTHTT
SCHEMBL7379146 0.88 MTTP (0.44) GAATP53ALDH1A1MAPTHTT

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed