SCHEMBL6959345

SCHEMBL6959345

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(N)c(OC)c2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
ROCK2 O75116 1/20 0.41
LMNA P02545 2/20 0.40
HSD11B1 P28845 2/20 0.40
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6972651 0.91 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL6964164 0.90 NPSR1 (0.46) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6959155 0.89 LMNA (0.50) PDE4APDE4BPDE4CPDE4DNPSR1
SCHEMBL6964907 0.89 NPSR1 (0.45) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL6960127 0.85 NPSR1 (0.49) NPSR1MEN1KMT2AALDH1A1POLB
SCHEMBL6968111 0.80 ALDH1A1 (0.43) NPSR1MEN1KMT2AALDH1A1CYP2C19
SCHEMBL6955643 0.80 L3MBTL1 (0.46) NPSR1MEN1KMT2AALDH1A1POLB
SCHEMBL6970362 0.80 AVPR1A (0.49) ALDH1A1PDCD1CD274MAPT
SCHEMBL6964781 0.79 L3MBTL1 (0.46) NPSR1MEN1KMT2AALDH1A1POLB
SCHEMBL6960505 0.79 LMNA (0.52) NPSR1MEN1KMT2AALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed