SCHEMBL13667366

SCHEMBL13667366

NC(=O)O[C@@H](Cn1nccn1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.42
AVPR1A P37288 4/20 0.42
LPAR1 Q92633 2/20 0.36
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL13667367 1.00 AVPR2 (0.42) AVPR2AVPR1ALPAR1OPRM1OPRL1
SCHEMBL4312053 1.00 AVPR2 (0.42) AVPR2AVPR1ALPAR1OPRM1OPRL1
SCHEMBL4317565 0.88 AVPR2 (0.42) AVPR2AVPR1ALPAR1
SCHEMBL23138981 0.86 AVPR2 (0.42) AVPR2AVPR1ALPAR1CASP1
SCHEMBL4310582 0.85 AVPR2 (0.34) AVPR2AVPR1A
Cenobamate SCHEMBL4308624 0.85 POLB (0.46) AVPR2AVPR1ALPAR1
Cenobamate SCHEMBL13667363 0.85 POLB (0.46) AVPR2AVPR1ALPAR1
Cenobamate SCHEMBL1682643 0.85 POLB (0.46) AVPR2AVPR1ALPAR1
Cenobamate SCHEMBL29410391 0.85 POLB (0.46) AVPR2AVPR1ALPAR1
SCHEMBL13667441 0.84 CYP2C9 (0.41) OPRM1

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