SCHEMBL13667381

SCHEMBL13667381

NC(=O)O[C@H](Cn1ncnn1)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.42
AVPR1A P37288 4/20 0.42
CNR2 P34972 2/20 0.34
POLB P06746 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 0.32
ACP3 P15309 1/20 0.32
NTRK1 P04629 1/20 0.32
MAOB P27338 1/20 0.32
PLK1 P53350 2/20 0.31

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
SCHEMBL13667380 1.00 AVPR2 (0.42) AVPR2AVPR1ACNR2POLBSIRT2
SCHEMBL4316123 0.86 AVPR2 (0.45) AVPR2AVPR1ACNR2CACNA2D1CACNA1B
Cenobamate SCHEMBL1682643 0.82 POLB (0.46) AVPR2AVPR1APOLB
Cenobamate SCHEMBL29410391 0.82 POLB (0.46) AVPR2AVPR1APOLB
Cenobamate SCHEMBL13667363 0.82 POLB (0.46) AVPR2AVPR1APOLB
Cenobamate SCHEMBL4308624 0.82 POLB (0.46) AVPR2AVPR1APOLB
SCHEMBL4308060 0.82 POLB (0.36) AVPR2AVPR1APOLB
SCHEMBL23307859 0.79 ADRB1 (0.39)
SCHEMBL4311442 0.79 ADRB1 (0.39)
SCHEMBL4312963 0.79 KIF11 (0.38)

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
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed