SCHEMBL7477256

SCHEMBL7477256

CCOC(=O)CCCCCOc1cc(C)ccc1N(C)C(=O)c1ccc(NC(=O)c2cccc3[nH]c(CN4C(=O)c5ccccc5C4=O)nc23)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
MAPK7 Q13164 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL7595290 0.90 CHEK1 (0.35) ALDH1A1MAPTMEN1KMT2APARP1
SCHEMBL7954752 0.89 AVPR2 (0.39) POLBKDM4EUSP2LMNATSHR
SCHEMBL7474276 0.85 BRD4 (0.34) KDM4ETSHRALDH1A1MAPTMEN1
SCHEMBL7474537 0.85 ALDH1A1 (0.40) POLBKDM4EUSP2LMNATSHR
SCHEMBL7476174 0.84 AVPR2 (0.38) POLBKDM4ELMNAALDH1A1MAPK7
SCHEMBL7482996 0.84 IRAK4 (0.36) ALDH1A1MAPTMEN1KMT2APARP1
SCHEMBL7477215 0.84 HDAC3 (0.36) ALDH1A1MAPTMEN1KMT2APARP1
SCHEMBL7569093 0.84 AVPR2 (0.38) POLBKDM4ELMNAALDH1A1MAPT
Hydrochloric Acid SCHEMBL7970132 0.84 HDAC3 (0.35) ALDH1A1MAPTMEN1KMT2APARP1
SCHEMBL7967569 0.83 BRD4 (0.35) POLBKDM4ETSHRALDH1A1MAPT

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-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed