SCHEMBL8081691

SCHEMBL8081691

[CH2]CCC(N)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.38
SLC6A4 P31645 3/20 0.37
EPHX1 P07099 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.33
KCNA3 P22001 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNK2 O95069 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32

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
SCHEMBL8078604 0.83 SCN4A (0.41) SCN4ASLC6A4EPHX1TAAR1LTA4H
SCHEMBL28085523 0.81 HRH1 (0.46) SCN4ASLC6A4EPHX1TAAR1LTA4H
SCHEMBL5679399 0.79 HDAC3 (0.39) SCN4ASLC6A4EPHX1TAAR1LTA4H
SCHEMBL3227309 0.79 SLC6A4 (0.41) SCN4ASLC6A4EPHX1LTA4HMTNR1A
SCHEMBL5674229 0.79 ALDH1A1 (0.43) SCN4ASLC6A4EPHX1LTA4HMTNR1A
SCHEMBL4370604 0.78 SLC6A4 (0.39) SCN4ASLC6A4TAAR1LTA4HTSHR
SCHEMBL3071330 0.78 METAP2 (0.47) EPHX1TAAR1PPARGPPARAMETAP2
SCHEMBL3229708 0.76 LTA4H (0.44) SLC6A4LTA4HSLC6A2SLC6A3KCNH2
SCHEMBL10584026 0.75 SLC6A4 (0.41) SLC6A4LTA4HTSHRKCNA3SLC6A2
SCHEMBL331604 0.75 MTNR1A (0.47) SLC6A4LTA4HMTNR1AMTNR1BMAOA

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
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
EP-0846679-A2 Process for preparing 1,3-disubstituted urea SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-06-10 EP disclosed