SCHEMBL7964818

SCHEMBL7964818

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1NC(=O)c1cccc2[nH]c(CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PARP1 P09874 5/20 0.35
BRD4 O60885 1/20 0.35
NR2F2 P24468 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 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
SCHEMBL7967361 0.95 BRD4 (0.36) PARP1BRD4
SCHEMBL7955465 0.95 BRD4 (0.36) PARP1BRD4TP53
SCHEMBL7962108 0.94 PARP1 (0.36) PARP1BRD4
SCHEMBL7961971 0.94 AVPR2 (0.37) PDE3BPDE3APARP1BRD4
SCHEMBL7482373 0.91 BRD4 (0.34) PARP1BRD4MAPT
SCHEMBL7483103 0.91 BRD4 (0.36) PARP1BRD4MAPT
SCHEMBL7965806 0.90 BRD4 (0.34) PARP1BRD4MAPT
SCHEMBL7479422 0.90 BRD4 (0.35) PARP1BRD4MAPT
SCHEMBL7964884 0.89 BRD4 (0.35) PARP1BRD4
SCHEMBL7474276 0.89 BRD4 (0.34) PARP1BRD4MAPT

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 2 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