SCHEMBL8575119

SCHEMBL8575119

[CH2]c1c(C(=O)c2cccc3ccccc23)nc(CCCC)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 1/20 0.49
GUCY1B1 Q02153 1/20 0.49
CNR2 P34972 3/20 0.47
CNR1 P21554 1/20 0.43
DRD4 P21917 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL8575121 0.90 GUCY1A1 (0.50) GUCY1A1GUCY1B1CNR2CNR1DRD4
SCHEMBL8452729 0.86 GUCY1A1 (0.52) GUCY1A1GUCY1B1CNR2CNR1TLR7
SCHEMBL8452077 0.84 GUCY1A1 (0.55) GUCY1A1GUCY1B1CNR2CNR1TLR7
SCHEMBL8448651 0.81 GUCY1A1 (0.57) GUCY1A1GUCY1B1CNR2CNR1TLR7
SCHEMBL8452734 0.76 GUCY1A1 (0.52) GUCY1A1GUCY1B1CNR2CNR1TLR7
SCHEMBL8452079 0.74 GUCY1A1 (0.57) GUCY1A1GUCY1B1CNR2CNR1TLR7
SCHEMBL8448653 0.72 CNR2 (0.60) GUCY1A1GUCY1B1CNR2CNR1TLR7
SCHEMBL3897756 0.69 GUCY1A1 (0.94) GUCY1A1GUCY1B1CNR2CNR1
SCHEMBL30697462 0.67 KDM4E (0.45) CNR2DRD4TLR7
SCHEMBL29988457 0.64 CNR2 (1.00) CNR2

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-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 US disclosed