SCHEMBL8316588

SCHEMBL8316588

Cc1nnc2n1-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.53
AVPR1A P37288 4/20 0.53
HSD11B1 P28845 2/20 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
SCHEMBL7332914 0.85 AVPR1A (0.62) AVPR2AVPR1A
SCHEMBL8316599 0.83 AVPR2 (0.53) AVPR2AVPR1AHSD11B1
SCHEMBL8316356 0.79 AVPR1A (0.49) AVPR2AVPR1A
SCHEMBL8316512 0.78 MEN1 (0.48) AVPR2AVPR1A
SCHEMBL8318107 0.78 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8557290 0.78 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL7349942 0.77 AVPR1A (0.68) AVPR2AVPR1A
SCHEMBL8318313 0.76 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL8317666 0.76 AVPR1A (0.46) AVPR2AVPR1A
SCHEMBL8314493 0.76 AVPR2 (0.67) AVPR2AVPR1AHSD11B1

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-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
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 EP disclosed