SCHEMBL4647697

SCHEMBL4647697

O=C(O)NCCCCn1cnc2ccncc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.41
SMYD2 Q9NRG4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ASAH1 Q13510 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MGLL Q99685 2/20 0.38
QPCT Q16769 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MAPK1 P28482 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
SCHEMBL2841675 0.83 EGLN3 (0.61) EGLN3SMN1; SMN2ASAH1LMNAKDM4E
SCHEMBL10469109 0.82 EGLN3 (0.52) LTA4HEGLN3SMN1; SMN2LMNAALOX15
SCHEMBL2867039 0.79 EGLN3 (0.62) EGLN3SMN1; SMN2ASAH1LMNAKDM4E
SCHEMBL10469393 0.78 TBXAS1 (0.48) LTA4HEGLN3SMN1; SMN2LMNAKDM4E
SCHEMBL10645076 0.78 LTA4H (0.44) LTA4HEGLN3SMN1; SMN2LMNAKDM4E
SCHEMBL10467879 0.77 TNF (0.53) LTA4H
SCHEMBL559450 0.76 LTA4H (0.49) LTA4HSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL7105950 0.76 LTA4H (0.51) LTA4HEGLN3SMN1; SMN2LMNAKDM4E
SCHEMBL5748676 0.76 LTA4H (0.51) LTA4HSMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4647692 0.76 LTA4H (0.45) LTA4HEGLN3SMN1; SMN2LMNAKDM4E

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-1957085-A2 MACROLIDES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES, LTD. (IN) 2008-08-20 EP claimed
WO-2007054904-A2 MACROLIDES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-05-18 WO claimed