SCHEMBL7967361

SCHEMBL7967361

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
PARP1 P09874 1/20 0.36
JAK2 O60674 1/20 0.36
AVPR2 P30518 3/20 0.35
AVPR1A P37288 3/20 0.35
AVPR1B P47901 3/20 0.35
MAP3K7 O43318 4/20 0.35
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
TSHR P16473 1/20 0.32
MAPK10 P53779 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
SCHEMBL7961971 0.98 AVPR2 (0.37) BRD4PARP1JAK2AVPR2AVPR1A
SCHEMBL7964818 0.95 PDE3B (0.35) BRD4PARP1
SCHEMBL7955465 0.94 BRD4 (0.36) BRD4PARP1AVPR2AVPR1AAVPR1B
SCHEMBL7962108 0.94 PARP1 (0.36) BRD4PARP1AVPR2AVPR1AAVPR1B
SCHEMBL7969942 0.91 JAK2 (0.35) BRD4PARP1JAK2MAP3K7ABL1
SCHEMBL7482373 0.90 BRD4 (0.34) BRD4PARP1IRAK4TSHRMAPK10
SCHEMBL7954148 0.90 MAP3K7 (0.39) BRD4PARP1AVPR2AVPR1AAVPR1B
SCHEMBL7483103 0.90 BRD4 (0.36) BRD4PARP1IRAK4TSHRMAPK10
SCHEMBL7487329 0.90 AVPR2 (0.38) BRD4PARP1AVPR2AVPR1AAVPR1B
SCHEMBL7598670 0.90 AVPR2 (0.39) 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 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