SCHEMBL13667449

SCHEMBL13667449

NC(=O)O[C@H](Cn1ncnn1)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
PLA2G1B P04054 1/20 0.33
AVPR2 P30518 3/20 0.32
AVPR1A P37288 3/20 0.32

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
SCHEMBL4304894 1.00 POLB (0.44) POLBPLA2G1BAVPR2AVPR1A
SCHEMBL13667448 1.00 POLB (0.44) POLBPLA2G1BAVPR2AVPR1A
Cenobamate SCHEMBL13667363 0.86 POLB (0.46) POLBAVPR2AVPR1A
Cenobamate SCHEMBL4308624 0.86 POLB (0.46) POLBAVPR2AVPR1A
Cenobamate SCHEMBL29410391 0.86 POLB (0.46) POLBAVPR2AVPR1A
Cenobamate SCHEMBL1682643 0.86 POLB (0.46) POLBAVPR2AVPR1A
SCHEMBL4310582 0.84 AVPR2 (0.34) AVPR2AVPR1A
SCHEMBL4313087 0.82 PLA2G1B (0.38) POLBPLA2G1B
SCHEMBL13667373 0.81 CYP19A1 (0.41) POLB
SCHEMBL4312862 0.81 CYP19A1 (0.41) POLB

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