SCHEMBL7916913

SCHEMBL7916913

CC(C)(C)NC(=O)c1cccc(Cn2nc(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.66
AVPR1A P37288 20/20 0.66
SLC6A2 P23975 1/20 0.55
OXTR P30559 1/20 0.55
OPRK1 P41145 1/20 0.55
AVPR1B P47901 1/20 0.55

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
SCHEMBL2502226 0.91 AVPR2 (0.59) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL2500582 0.88 AVPR2 (0.68) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL2512459 0.88 AVPR2 (0.72) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL2506775 0.84 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL2498442 0.83 AVPR2 (0.63) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL2444038 0.82 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL6929168 0.82 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL6926726 0.82 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL2516823 0.80 AVPR2 (0.61) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL28026991 0.80 AVPR2 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 EP disclosed
EP-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 EP disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 WO disclosed