SCHEMBL3434053

SCHEMBL3434053

CC1CCC(C(=O)N2CCN(c3cccnn3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
SLC6A7 Q99884 1/20 0.51
TRPV1 Q8NER1 2/20 0.49
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NAMPT P43490 1/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL3430814 0.85 SLC6A7 (0.47) RIPK1SLC6A7TRPV1TSHRKDM4E
SCHEMBL3430815 0.85 SLC6A7 (0.47) RIPK1SLC6A7TRPV1TSHRKDM4E
SCHEMBL5317667 0.82 SLC6A7 (0.53) RIPK1SLC6A7TRPV1TDP1KDM4E
SCHEMBL5317665 0.82 SLC6A7 (0.53) RIPK1SLC6A7TRPV1TDP1KDM4E
SCHEMBL3433327 0.80 SLC6A7 (0.49) RIPK1SLC6A7TRPV1TSHRKDM4E
SCHEMBL3433329 0.80 SLC6A7 (0.49) RIPK1SLC6A7TRPV1TSHRKDM4E
SCHEMBL14094520 0.79 NPC1 (0.52) RIPK1SLC6A7TRPV1TSHRTDP1
SCHEMBL938378 0.79 ALDH1A1 (0.48) CKS1BSKP1SKP2TSHRTDP1
SCHEMBL27702525 0.77 SLC6A7 (0.63) RIPK1SLC6A7TRPV1TSHRKDM4E
SCHEMBL4813898 0.76 SLC6A7 (0.66) RIPK1SLC6A7TRPV1TSHRKDM4E

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