SCHEMBL7417588

SCHEMBL7417588

COC(=O)c1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCN2C(=O)c3ccccc3C2=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
MAPT P10636 3/20 0.47
HSP90AA1 P07900 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MAOB P27338 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7480971 0.85 ALDH1A1 (0.51) HTTNPSR1MAPK1ALDH1A1HPGD
SCHEMBL7421191 0.84 MAPT (0.48) HTTMAPTHSP90AA1NPSR1ALDH1A1
SCHEMBL7373903 0.83 ALDH1A1 (0.52) HTTMAPTNPSR1MAPK1ALDH1A1
SCHEMBL7425247 0.83 ALDH1A1 (0.43) HTTMAPTMAPK1ALDH1A1HPGD
SCHEMBL7430233 0.83 ALDH1A1 (0.58) HTTMAPTHSP90AA1NPSR1MAPK1
SCHEMBL7474537 0.80 ALDH1A1 (0.40) HTTMAPTMAPK1ALDH1A1HPGD
SCHEMBL7426873 0.80 POLB (0.44) HTTMAPTNPSR1ALDH1A1HPGD
SCHEMBL7336478 0.79 ALDH1A1 (0.42) HTTMAPTHSP90AA1NPSR1ALDH1A1
SCHEMBL8611049 0.79 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL7339504 0.79 AVPR2 (0.43) ALDH1A1POLBLMNA

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