SCHEMBL7426873

SCHEMBL7426873

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCN2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
AGTR1 P30556 1/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRM5 P41594 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
BRPF1 P55201 1/20 0.36

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
SCHEMBL7425247 0.91 ALDH1A1 (0.43) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL7966890 0.84 AVPR2 (0.39) POLBALDH1A1KDM4EMAPTAKR1C3
SCHEMBL7480971 0.84 ALDH1A1 (0.51) POLBALDH1A1LMNAAGTR1MEN1
Hydrochloric Acid SCHEMBL7964351 0.84 AVPR2 (0.38) POLBALDH1A1KDM4EMAPTAKR1C3
SCHEMBL7474537 0.83 ALDH1A1 (0.40) POLBALDH1A1LMNAGAAL3MBTL1
SCHEMBL7590287 0.83 MAPT (0.38) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL7966903 0.83 MAPT (0.36) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL7373903 0.83 ALDH1A1 (0.52) POLBALDH1A1LMNAAGTR1MEN1
SCHEMBL7968217 0.82 POLB (0.40) POLBALDH1A1LMNAAGTR1MEN1
SCHEMBL7966897 0.82 ALDH1A1 (0.34) ALDH1A1LMNAKMT2AKDM4EMAPT

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