SCHEMBL8078604

SCHEMBL8078604

[CH2]CC(N)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.41
EPHX1 P07099 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
LTA4H P09960 1/20 0.36
TSHR P16473 1/20 0.36
KCNA3 P22001 1/20 0.36
SLC6A4 P31645 1/20 0.35
MAOA P21397 1/20 0.34
PTGS1 P23219 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
DPP4 P27487 2/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL8081691 0.83 SCN4A (0.38) SCN4AEPHX1TAAR1LTA4HTSHR
SCHEMBL5679399 0.78 HDAC3 (0.39) SCN4AEPHX1TAAR1LTA4HTSHR
SCHEMBL1033247 0.77 SLC6A4 (0.43) SCN4AEPHX1TAAR1LTA4HTSHR
SCHEMBL8107481 0.77 ALDH1A1 (0.41) SCN4AEPHX1TAAR1LTA4HTSHR
SCHEMBL16167284 0.76 LTA4H (0.39) SCN4ATAAR1LTA4HTSHRKCNA3
SCHEMBL1569929 0.76 EPHX1 (0.60) EPHX1TAAR1SLC6A4MAOAPTGS1
SCHEMBL28085523 0.76 HRH1 (0.46) SCN4AEPHX1TAAR1LTA4HSLC6A4
Hydrochloric Acid SCHEMBL6963695 0.74 EPHX1 (0.58) EPHX1TAAR1SLC6A4MAOAPTGS1
SCHEMBL19586897 0.74 SCN4A (0.42) SCN4AEPHX1TAAR1LTA4HKCNA3
SCHEMBL3227309 0.74 SLC6A4 (0.41) SCN4AEPHX1LTA4HSLC6A4MAOA

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-0846679-B1 Process for preparing 1,3-disubstituted urea SUMIKA FINE CHEMICALS CO LTD (JP) 2000-09-06 EP disclosed
US-5902899-A Process for preparing 1, 3-disubstituted urea SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-05-11 US disclosed