SCHEMBL8083528

SCHEMBL8083528

[CH2]C(N)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
SCN4A P35499 2/20 0.40
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
CA4 P22748 1/20 0.38
MAOA P21397 1/20 0.37
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.35
KCNA3 P22001 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4331542 0.78 LTA4H (0.45) LTA4HTSHRSCN4ADPP4F2
SCHEMBL31590711 0.78 LTA4H (0.45) LTA4HTSHRSCN4ADPP4F2
SCHEMBL8145320 0.78 LTA4H (0.45) LTA4HTSHRCA4MAOACHRNB4
SCHEMBL6049880 0.78 LTA4H (0.45) LTA4HTSHRCA4MAOACHRNB4
SCHEMBL29270324 0.78 LTA4H (0.45) LTA4HTSHRSCN4ADPP4F2
SCHEMBL9819194 0.75 KDM4E (0.41) CA4MAOACHRNB4CHRNA3TAAR1
SCHEMBL24309913 0.74 CA4 (0.43) LTA4HTSHRSCN4ACA4MAOA
SCHEMBL11072413 0.74 TSHR (0.41) LTA4HTSHRSCN4ADPP4F2
SCHEMBL16671569 0.74 LMNA (0.41) LTA4HTSHRCA4KCNA3KDM4E
SCHEMBL10758577 0.74 TSHR (0.41) LTA4HTSHRCA4MAOAPOLB

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