SCHEMBL16058671

SCHEMBL16058671

O=c1[nH]cccc1CCCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CEL P19835 4/20 0.50
DAO P14920 3/20 0.40
BCHE P06276 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
SLC6A4 P31645 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL16058694 0.78 KDM4E (0.38) JAK2JAK1KDM4E
SCHEMBL9234355 0.76 DAO (0.45) DAOGPR84KDM4EMCL1
SCHEMBL5779220 0.72 DRD2 (0.47)
SCHEMBL4602524 0.72 CHEK1 (0.51) DAOSLC6A4MCL1
SCHEMBL8712639 0.72 DAO (0.41) DAOHCAR2KDM4EMCL1
SCHEMBL6536604 0.72 DAO (0.45) DAOKDM4EMCL1
SCHEMBL16593849 0.71 CYP1A2 (0.52) CELBCHECYSLTR2CYSLTR1
SCHEMBL9950280 0.71 CEL (0.48) CELBCHECYSLTR2CYSLTR1SLC6A4
SCHEMBL2495417 0.70 GPR84 (0.46) DAOGPR84KDM4EMCL1
SCHEMBL24257147 0.70 PARP1 (0.48) CELBCHESLC6A4KDM4EMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO disclosed