SCHEMBL28026993

SCHEMBL28026993

CC(=O)On1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.76
AVPR1A P37288 20/20 0.76
SLC6A2 P23975 1/20 0.56
OXTR P30559 1/20 0.56
OPRK1 P41145 1/20 0.56
AVPR1B P47901 1/20 0.56

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
SCHEMBL28026987 0.88 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL6928123 0.86 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL6928991 0.86 AVPR2 (0.84) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL18808883 0.85 AVPR2 (0.86) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL15124450 0.85 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL17512901 0.84 AVPR2 (0.78) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL21459268 0.83 AVPR2 (0.80) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL21459269 0.83 AVPR2 (0.80) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL19569268 0.79 AVPR2 (1.00) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL20995864 0.79 AVPR2 (1.00) AVPR2AVPR1ASLC6A2OXTROPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 CN disclosed