SCHEMBL6623633

SCHEMBL6623633

Cn1cc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cn1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.76
AVPR2 P30518 7/20 0.76

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
SCHEMBL6626543 0.88 AVPR1A (0.61) AVPR1AAVPR2
SCHEMBL3554976 0.86 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL7223918 0.84 AVPR2 (0.62) AVPR1AAVPR2
SCHEMBL4145424 0.83 AVPR1A (0.79) AVPR1AAVPR2
SCHEMBL6624843 0.82 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL13403212 0.81 AVPR1A (0.85) AVPR1AAVPR2
SCHEMBL6624810 0.81 AVPR1A (0.72) AVPR1AAVPR2
SCHEMBL7311010 0.81 AVPR1A (1.00) AVPR1AAVPR2
SCHEMBL4147095 0.81 AVPR1A (0.82) AVPR1AAVPR2
SCHEMBL4138543 0.81 AVPR1A (1.00) AVPR1AAVPR2

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 5 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
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 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