SCHEMBL7312336

SCHEMBL7312336

CC(C)(C)c1ccn(-c2ccc(C3(N4CC5=C(NCC=C5)Nc5ccccc54)OO3)c(C(F)(F)F)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37

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
SCHEMBL7312434 0.82 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL7315695 0.76 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL7321929 0.72 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL7313221 0.64 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL7313783 0.64 AVPR2 (0.83) AVPR2AVPR1A
SCHEMBL7322704 0.61 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL7312178 0.60 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL7315859 0.60 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL7325906 0.59 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL7560078 0.58 AVPR2 (0.39) AVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149096-B1 TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS WYETH CORP (US) 2002-12-18 EP disclosed
US-6235900-B1 Tricyclic pyridine N-oxides vasopressin agonists AMERICAN HOME PRODUCTS CORPORATION 2001-05-22 US disclosed