SCHEMBL7475346

SCHEMBL7475346

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1cc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
JAK2 O60674 1/20 0.32
AVPR2 P30518 2/20 0.32
AVPR1A P37288 2/20 0.32
AVPR1B P47901 2/20 0.32
ADRA1D P25100 3/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31
EPHX2 P34913 1/20 0.31
KDR P35968 1/20 0.31
BRPF1 P55201 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ABL1 P00519 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL7973515 0.93 AVPR2 (0.37) MAP3K7RXFP1JAK2AVPR2AVPR1A
SCHEMBL7475173 0.91 AVPR2 (0.32) MAP3K7RXFP1AVPR2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7971911 0.87 MAP3K7 (0.35) MAP3K7AVPR2AVPR1AAVPR1BADRA1D
SCHEMBL7964892 0.85 AVPR2 (0.35) MAP3K7RXFP1JAK2AVPR2AVPR1A
SCHEMBL7474244 0.85 AVPR2 (0.33) MAP3K7RXFP1AVPR2AVPR1AAVPR1B
SCHEMBL7970296 0.84 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7478471 0.84 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BADRA1D
SCHEMBL7955154 0.84 ADRA1D (0.32) MAP3K7RXFP1AVPR2AVPR1AAVPR1B
SCHEMBL7969562 0.83 MAPK11 (0.36) MAP3K7ADRA1DADRA1AADRA1BEPHX2
SCHEMBL7962351 0.83 AVPR2 (0.37) AVPR2AVPR1AAVPR1B

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 3 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
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