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SCHEMBL8739506

SCHEMBL8739506

CC(O)Cn1c(-c2ccc(Cl)cc2)nn(CC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 19/20 0.66
▸ AVPR1A P37288 19/20 0.66
▸ SLC6A2 P23975 1/20 0.45
▸ OXTR P30559 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ AVPR1B P47901 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 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
SCHEMBL8234753 0.92 AVPR2 (0.69) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL3919632 0.92 AVPR2 (0.65) AVPR2AVPR1ATP53MAPT
SCHEMBL4502013 0.92 AVPR2 (0.76) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL14476330 0.90 AVPR2 (0.59) AVPR2AVPR1ATP53MAPT
SCHEMBL8233213 0.90 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL4502304 0.90 AVPR2 (0.62) AVPR2AVPR1ATP53MAPT
SCHEMBL8235373 0.90 AVPR2 (0.62) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL3979687 0.89 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL3977873 0.89 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT
SCHEMBL8233642 0.89 AVPR2 (0.60) AVPR2AVPR1ATP53MAPT

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-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 — — EP disclosed
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