SCHEMBL6623276

SCHEMBL6623276

Cc1cn(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(C(F)(F)F)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.55
AVPR1A P37288 10/20 0.55
OXTR P30559 2/20 0.55

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
SCHEMBL6622674 0.87 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL6625764 0.85 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL6624737 0.84 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL6623967 0.84 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL6624401 0.83 AVPR1A (0.64) AVPR2AVPR1AOXTR
SCHEMBL6625759 0.82 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL6625133 0.81 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6623167 0.80 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL6623630 0.77 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL7632997 0.74 AVPR2 (0.41) AVPR2AVPR1AOXTR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000062-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-22 EP claimed
EP-1216045-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS American Cynamid Company (US) 2002-06-26 EP claimed
WO-2001022969-A2 VASOPRESSIN AGONIST FORMULATION AND PROCESS AMERICAN CYNAMID COMPANY (US) 2001-04-05 WO claimed
US-6831079-B1 Oral delivery; nitrogen triheterocyclic active material, surfactant, polyethylene glycol with sucrose fatty acid esters and/or polyvinylpyrrolidone AMERICAN CYANAMID COMPANY 2004-12-14 US disclosed
EP-1000062-B1 TRICYCLIC VASOPRESSIN AGONISTS WYETH CORP (US) 2004-09-22 EP disclosed
US-6511974-B1 Non-peptidic and have good oral bioavailability, specific vasopressin V2 agonists, therefore do not raise blood pressure WYETH 2003-01-28 US disclosed