SCHEMBL16673951

SCHEMBL16673951

CCN(CC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.74
AVPR1A P37288 20/20 0.74
SLC6A2 P23975 1/20 0.44
OXTR P30559 1/20 0.44
OPRK1 P41145 1/20 0.44
AVPR1B P47901 1/20 0.44

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
SCHEMBL411237 0.90 AVPR2 (0.68) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL16673851 0.89 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL256773 0.85 AVPR2 (1.00) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL16673939 0.85 AVPR2 (0.72) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL15206236 0.84 AVPR2 (0.85) AVPR2AVPR1A
SCHEMBL256000 0.84 AVPR2 (0.80) AVPR2AVPR1A
SCHEMBL255943 0.84 AVPR2 (1.00) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL15207350 0.84 AVPR2 (0.78) AVPR2AVPR1A
SCHEMBL256954 0.83 AVPR2 (0.82) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL168160 0.83 AVPR2 (0.81) 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
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed