SCHEMBL3432265

SCHEMBL3432265

O=C(c1ccccc1OC(F)(F)F)N1CCN(c2cccnn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.55
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD11B1 P28845 1/20 0.50
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MGLL Q99685 1/20 0.48
NAMPT P43490 2/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
TSHR P16473 4/20 0.44

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
SCHEMBL2007249 0.82 SCD (0.61) SLC6A7
SCHEMBL939135 0.82 SCD (0.56) KDM4ELMNASMN1; SMN2
SCHEMBL3429910 0.78 SLC6A7 (0.62) SLC6A7ALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL5275966 0.76 SCD (0.57) SLC6A7KDM4ENAMPTHCRTR1HCRTR2
SCHEMBL29944453 0.76 HSD11B1 (0.62) HSD11B1SMN1; SMN2MGLLHCRTR1HCRTR2
SCHEMBL3430235 0.76 KDM4E (0.57) SLC6A7ALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL3408927 0.75 SLC6A7 (0.58) SLC6A7ALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL3432771 0.74 SLC6A7 (0.57) SLC6A7ALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL3430705 0.74 SLC6A7 (0.57) SLC6A7ALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL3434504 0.74 GAA (0.56) SLC6A7ALDH1A1KDM4EHSD17B10SMN1; SMN2

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