SCHEMBL7368668

SCHEMBL7368668

CCOC(=O)COc1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
S1PR4 O95977 1/20 0.44
MAPT P10636 1/20 0.44
ITGA4 P13612 1/20 0.44
HPGD P15428 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.40
AGTR1 P30556 1/20 0.40

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
SCHEMBL7339731 0.91 MAPT (0.41) ALDH1A1POLBSMN1; SMN2RAB9ALMNA
SCHEMBL7368763 0.84 RAB9A (0.43) ALDH1A1POLBSMN1; SMN2RAB9ALMNA
SCHEMBL7377964 0.84 POLB (0.56) ALDH1A1POLBSMN1; SMN2RAB9ALMNA
SCHEMBL7374190 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL7371278 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL7370750 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1
SCHEMBL7371553 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL8442696 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9ALMNANPC1
SCHEMBL7338369 0.78 TNF (0.42) ALDH1A1LMNAMAPTMAPK1KDM4E
SCHEMBL7372163 0.77 RAB9A (0.49) ALDH1A1POLBSMN1; SMN2RAB9ALMNA

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