SCHEMBL6640201

SCHEMBL6640201

Fc1c[c]ccc1OCCC1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
POLB P06746 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL14742284 0.85 LTA4H (0.40) LTA4HPIM1PIM2
SCHEMBL6053357 0.84 CHRNB4 (0.50) PIM1PIM2CHRNB4CHRNA3CHRNB2
SCHEMBL6619246 0.82 HRH3 (0.40) LTA4HPIM1PIM2
SCHEMBL1476215 0.81 SLC6A2 (0.49) LTA4HPIM1PIM2CHRNB4CHRNA3
SCHEMBL6207681 0.78 LTA4H (0.47) LTA4HPOLB
SCHEMBL11456123 0.77 SLC6A2 (0.53) PIM1PIM2CHRNB4CHRNA3CHRNB2
SCHEMBL2265168 0.76 LTA4H (0.46) LTA4HPOLB
SCHEMBL28331577 0.73 PARP10 (0.40)
SCHEMBL11457727 0.73 PIM1 (0.49) LTA4HPIM1PIM2CHRNB4CHRNA3
SCHEMBL4705249 0.73 SLC6A2 (0.39) CHRNB4CHRNA3

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-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed