SCHEMBL4052501

SCHEMBL4052501

O=Cc1cc(Br)ccc1OCC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
PIM1 P11309 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
KDM1A O60341 4/20 0.43
EP300 Q09472 3/20 0.43
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 2/20 0.42
HTR3A P46098 1/20 0.42
KCNH2 Q12809 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
Hydrochloric Acid SCHEMBL15537884 0.99 PTGDR2 (0.50) PTGDR2PIM1PIM2KDM1AEP300
SCHEMBL17061451 0.90 PTGDR2 (0.57) PTGDR2PIM1PIM2SLC6A4TDP1
SCHEMBL29964746 0.90 PTGDR2 (0.57) PTGDR2PIM1PIM2SLC6A4TDP1
SCHEMBL5463136 0.87 PTGDR2 (0.55) PTGDR2SLC6A4TDP1PLA2G1BATG4B
SCHEMBL30679664 0.86 PTGDR2 (0.54) PTGDR2SLC6A4PLA2G1BATG4B
SCHEMBL27159746 0.84 PTGDR2 (0.51) PTGDR2PIM1PIM2TDP1PLA2G1B
SCHEMBL29964495 0.84 PTGDR2 (0.51) PTGDR2PIM1PIM2TDP1PLA2G1B
SCHEMBL16757840 0.79 EGFR (0.49) PIM1PIM2KDM1AEP300SLC6A4
Hydrochloric Acid SCHEMBL15537954 0.78 EGFR (0.48) PIM1PIM2KDM1AEP300SLC6A4
SCHEMBL21305428 0.76 PTGDR2 (0.49) PTGDR2TDP1PLA2G1BATG4B

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
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed