SCHEMBL3435449

SCHEMBL3435449

O=C(N1CCN(c2cccnn2)CC1)C1(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.55
TRPV1 Q8NER1 2/20 0.50
NAMPT P43490 2/20 0.46
FASN P49327 5/20 0.45
GRM5 P41594 2/20 0.43
RIPK1 Q13546 2/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AOC3 Q16853 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27702525 0.82 SLC6A7 (0.63) SLC6A7TRPV1NAMPTGRM5RIPK1
SCHEMBL4813898 0.80 SLC6A7 (0.66) SLC6A7TRPV1NAMPTGRM5RIPK1
SCHEMBL937088 0.76 FASN (0.44) FASNKDM4E
SCHEMBL2011822 0.75 SLC6A7 (0.56) SLC6A7TRPV1NAMPTGRM5RIPK1
SCHEMBL9557855 0.73 SLC6A7 (0.52) SLC6A7TRPV1NAMPTGRM5RIPK1
SCHEMBL24962294 0.72 SLC6A7 (0.50) SLC6A7TRPV1NAMPTGRM5RIPK1
SCHEMBL5317665 0.72 SLC6A7 (0.53) SLC6A7TRPV1NAMPTRIPK1KDM4E
SCHEMBL5317667 0.72 SLC6A7 (0.53) SLC6A7TRPV1NAMPTRIPK1KDM4E
SCHEMBL29473497 0.72 TRPV1 (0.57) SLC6A7TRPV1ALDH1A1
SCHEMBL939343 0.72 TRPV1 (0.54) SLC6A7TRPV1NAMPTGRM5RIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257291-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS Xenon Pharmaceuticals Inc. (CA) 2010-12-08 EP disclosed
WO-2009106991-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-09-03 WO disclosed
EP-1851205-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-11-07 EP disclosed
WO-2006086447-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed