SCHEMBL7607734

SCHEMBL7607734

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCCN)ccc1NC(=O)c1cccc2[nH]c(CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
PARP1 P09874 1/20 0.35
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
PTGES O14684 7/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL7483103 0.95 BRD4 (0.36) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7964884 0.94 BRD4 (0.35) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7482373 0.94 BRD4 (0.34) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7965806 0.93 BRD4 (0.34) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7479422 0.92 BRD4 (0.35) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7964981 0.92 BRD4 (0.34) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7966353 0.92 TSHR (0.38) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7474276 0.92 BRD4 (0.34) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7595785 0.90 BRD4 (0.33) BRD4PARP1TSHRMAPK10PTGES
SCHEMBL7967569 0.90 BRD4 (0.35) BRD4PARP1TSHRMAPK10PTGES

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