SCHEMBL7484184

SCHEMBL7484184

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCNCC2)ccc1NC(=O)c1cccc2[nH]c(CN)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.34
PARP1 P09874 2/20 0.34
AVPR2 P30518 3/20 0.33
AVPR1A P37288 3/20 0.33
AVPR1B P47901 3/20 0.33
QPCT Q16769 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL7962035 0.94 AVPR2 (0.37) BRD4PARP1AVPR2AVPR1AAVPR1B
SCHEMBL7969026 0.94 PARP1 (0.35) BRD4PARP1AVPR2AVPR1AAVPR1B
SCHEMBL7476106 0.94 AVPR2 (0.35) BRD4PARP1AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7964741 0.94 AVPR2 (0.37) BRD4PARP1AVPR2AVPR1AAVPR1B
SCHEMBL7487329 0.94 AVPR2 (0.38) BRD4PARP1AVPR2AVPR1AAVPR1B
SCHEMBL7954718 0.92 AVPR2 (0.39) BRD4PARP1AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7966658 0.91 AVPR2 (0.39) BRD4PARP1AVPR2AVPR1AAVPR1B
SCHEMBL7477215 0.90 HDAC3 (0.36) BRD4PARP1IRAK4HDAC3HDAC4
Hydrochloric Acid SCHEMBL7970132 0.90 HDAC3 (0.35) BRD4PARP1IRAK4HDAC3HDAC4
SCHEMBL7972243 0.90 AVPR2 (0.37) BRD4PARP1AVPR2AVPR1AAVPR1B

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