SCHEMBL17865300

SCHEMBL17865300

c1ncc(CN2CCCCC2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
HRH3 Q9Y5N1 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 4/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
CHRNA7 P36544 1/20 0.37
ARG1 P05089 1/20 0.36
CHEK1 O14757 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL4437203 0.98 LTA4H (0.49) LTA4HHRH3CHRNB2CHRNA4SMN1; SMN2
SCHEMBL18427275 0.94 LTA4H (0.46) LTA4HHRH3CHRNB2CHRNA4SMN1; SMN2
SCHEMBL13940676 0.84 LTA4H (0.40) LTA4HALDH1A1JAK2JAK1TYK2
SCHEMBL14367254 0.81 KDM4E (0.47) LTA4HALDH1A1JAK2JAK1TYK2
SCHEMBL207529 0.81 ALDH1A1 (0.47) LTA4HHRH3ALDH1A1JAK2JAK1
SCHEMBL9979865 0.79 ALDH1A1 (0.60) HRH3ALDH1A1JAK2JAK1TYK2
SCHEMBL15014625 0.79 PARG (0.37) LTA4HALDH1A1JAK2JAK1TYK2
SCHEMBL12767170 0.76 ALDH1A1 (0.43) LTA4HHRH3SMN1; SMN2ALDH1A1JAK2
SCHEMBL209854 0.76 ARG1 (0.42) SMN1; SMN2ALDH1A1KDM4EHTTTDP1
SCHEMBL12727195 0.75 ALDH1A1 (0.42) LTA4HALDH1A1JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016099394-A1 NOVEL SELECTIVE DELTA-OPIOID RECEPTOR AGONISTS USEFUL FOR THE TREATMENT OF PAIN, ANXIETY AND DEPRESSION. PHARMNOVO AB (SE) 2016-06-23 WO disclosed
CN-100422151-C Diarylmethylidene piperidine derivatives, their preparation and their use ASTRAZENECA AB (SE) 2008-10-01 CN disclosed
CN-1738801-A Diarylmethylidene piperidine derivatives, their preparation and their use ASTRAZENECA AB (SE) 2006-02-22 CN disclosed