SCHEMBL5317665

SCHEMBL5317665

CC1C[C@@H]1C(=O)N1CCN(c2cccnn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.53
TRPV1 Q8NER1 2/20 0.51
RIPK1 Q13546 1/20 0.46
NAMPT P43490 2/20 0.45
SIGMAR1 Q99720 1/20 0.43
AR P10275 2/20 0.41
MC4R P32245 4/20 0.41
MC3R P41968 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5317667 1.00 SLC6A7 (0.53) SLC6A7TRPV1RIPK1NAMPTSIGMAR1
SCHEMBL3433329 0.87 SLC6A7 (0.49) SLC6A7TRPV1RIPK1NAMPTMC4R
SCHEMBL3433327 0.87 SLC6A7 (0.49) SLC6A7TRPV1RIPK1NAMPTMC4R
SCHEMBL3434053 0.82 RIPK1 (0.52) SLC6A7TRPV1RIPK1NAMPTTDP1
SCHEMBL3430814 0.80 SLC6A7 (0.47) SLC6A7TRPV1RIPK1NAMPTKDM4E
SCHEMBL3430815 0.80 SLC6A7 (0.47) SLC6A7TRPV1RIPK1NAMPTKDM4E
SCHEMBL27702525 0.79 SLC6A7 (0.63) SLC6A7TRPV1RIPK1NAMPTKDM4E
SCHEMBL4813898 0.78 SLC6A7 (0.66) SLC6A7TRPV1RIPK1NAMPTKDM4E
SCHEMBL936568 0.77 SIGMAR1 (0.42) SIGMAR1ARTDP1KDM4EHTT
SCHEMBL2011822 0.76 SLC6A7 (0.56) SLC6A7TRPV1RIPK1NAMPTKDM4E

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
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