SCHEMBL9548162

SCHEMBL9548162

c1ccc(COCCC2CNCC(CCOCc3ccccc3)NCCOCCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
PDE4D Q08499 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TACR1 P25103 1/20 0.36
REN P00797 4/20 0.36
TAAR1 Q96RJ0 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL8935940 0.86 LTA4H (0.46) LTA4HLMNATSHRSLC6A2SLC6A4
SCHEMBL3495293 0.86 LTA4H (0.51) LTA4HLMNATSHRPDE4DSLC6A2
SCHEMBL6609328 0.74 POLB (0.59) LTA4HPOLBKMT2A
SCHEMBL3363332 0.74 TAAR1 (0.43) LTA4HLMNATSHRBCHEACHE
SCHEMBL28175943 0.74 TAAR1 (0.43) LTA4HLMNATSHRBCHEACHE
SCHEMBL28176860 0.74 TAAR1 (0.43) LTA4HLMNATSHRBCHEACHE
SCHEMBL8157461 0.73 POLB (0.50) LTA4HPOLBKMT2A
SCHEMBL28303546 0.73 SLC6A2 (0.47) LMNATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL17070 0.71 LTA4H (0.61) LTA4HLMNATSHRSLC6A2SLC6A4
SCHEMBL17069 0.71 LTA4H (0.61) LTA4HLMNATSHRSLC6A2SLC6A4

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
US-5198208-A Chelate compounds for diagnosis by magnetic resonance imaging, ultrasound or radiation therapy NYCOMED IMAGING AS (NO) 1993-03-30 US disclosed