SCHEMBL8406347

SCHEMBL8406347

O=C(Nc1ccc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.49
AVPR1A P37288 3/20 0.49

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
SCHEMBL7334191 0.84 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL7334195 0.81 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL13403230 0.80 AVPR1A (0.53) AVPR2AVPR1A
SCHEMBL8562029 0.79 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL3553886 0.79 AVPR1A (0.53) AVPR2AVPR1A
SCHEMBL3552960 0.79 AVPR1A (0.63) AVPR2AVPR1A
SCHEMBL5788208 0.79 AVPR1A (0.50) AVPR2AVPR1A
SCHEMBL5783972 0.79 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL8318185 0.76 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL7333390 0.76 AVPR2 (0.62) AVPR2AVPR1A

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-5968930-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5968937-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed