SCHEMBL6624868

SCHEMBL6624868

O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.61
AVPR2 P30518 9/20 0.61
OXTR P30559 1/20 0.54

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
SCHEMBL6624436 0.85 AVPR2 (0.76) AVPR1AAVPR2OXTR
SCHEMBL6623931 0.85 AVPR1A (0.73) AVPR1AAVPR2OXTR
SCHEMBL6623458 0.81 AVPR1A (0.68) AVPR1AAVPR2
SCHEMBL13403212 0.78 AVPR1A (0.85) AVPR1AAVPR2
SCHEMBL6623379 0.78 AVPR1A (0.69) AVPR1AAVPR2OXTR
SCHEMBL7332293 0.77 AVPR1A (0.83) AVPR1AAVPR2
SCHEMBL6068819 0.76 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL5738429 0.76 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL6625491 0.76 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL6624843 0.76 AVPR1A (0.77) 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