SCHEMBL7955157

SCHEMBL7955157

CCOC(=O)C1Cc2c(C(=O)Nc3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.36
AVPR1A P37288 5/20 0.36
AVPR1B P47901 4/20 0.36
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP3K7 O43318 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
SCHEMBL7955154 0.93 ADRA1D (0.32) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7953703 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7971950 0.88 AVPR2 (0.41) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7474378 0.87 AVPR2 (0.37) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7962662 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7479773 0.84 AVPR2 (0.32) AVPR2AVPR1AEPHX2MEN1POLB
Hydrochloric Acid SCHEMBL7954106 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7964892 0.84 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7474244 0.84 AVPR2 (0.33) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7973515 0.83 AVPR2 (0.37) AVPR2AVPR1AAVPR1BEPHX2MEN1

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