SCHEMBL6624978

SCHEMBL6624978

COc1cc(-n2ccc(C)n2)ccc1C(=O)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.77
AVPR1A P37288 9/20 0.77
OXTR P30559 2/20 0.77

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
SCHEMBL7234013 0.96 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL6628600 0.88 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL7234666 0.88 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL6623184 0.87 AVPR2 (0.80) AVPR2AVPR1AOXTR
SCHEMBL6627050 0.87 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL6624737 0.85 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL6623931 0.83 AVPR1A (0.73) AVPR2AVPR1AOXTR
SCHEMBL6623240 0.82 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL5787603 0.81 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL5784203 0.79 AVPR2 (0.69) 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 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