SCHEMBL9986596

SCHEMBL9986596

O=C(OCc1ccccc1)N1CCCC(c2ccn[nH]2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.56
JAK2 O60674 3/20 0.53
JAK1 P23458 3/20 0.53
TYK2 P29597 2/20 0.53
JAK3 P52333 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C19 P33261 1/20 0.48
GRIN2B Q13224 5/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BCL9 O00512 2/20 0.45
CTNNB1 P35222 2/20 0.45
PDE4B Q07343 1/20 0.45
MAPK1 P28482 1/20 0.44
LCK P06239 1/20 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
SCHEMBL29806002 1.00 USP30 (0.56) USP30JAK2JAK1TYK2JAK3
SCHEMBL29806194 0.94 USP30 (0.62) USP30JAK2JAK1TYK2JAK3
SCHEMBL7502653 0.82 JAK2 (0.57) USP30JAK2JAK1TYK2JAK3
SCHEMBL9986338 0.81 JAK2 (0.55) USP30JAK2JAK1TYK2JAK3
SCHEMBL29080044 0.81 JAK2 (0.55) USP30JAK2JAK1TYK2JAK3
SCHEMBL29087342 0.81 SMN1; SMN2 (0.59) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL29806318 0.81 JAK2 (0.52) USP30JAK2JAK1TYK2JAK3
SCHEMBL13490506 0.80 JAK2 (0.55) USP30JAK2JAK1TYK2JAK3
SCHEMBL4513756 0.79 JAK2 (0.54) USP30JAK2JAK1TYK2JAK3
SCHEMBL9986277 0.79 JAK2 (0.59) USP30JAK2JAK1TYK2JAK3

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
WO-2022152852-A1 ANTAGONISTS OF MRGX2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-07-21 WO disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed