SCHEMBL549769

SCHEMBL549769

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN(c1cc(F)cc(F)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.38
FFAR4 Q5NUL3 5/20 0.34
NPY5R Q15761 5/20 0.32
HRH3 Q9Y5N1 1/20 0.32
RIPK1 Q13546 1/20 0.31

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
SCHEMBL550413 1.00 HSD11B1 (0.38) HSD11B1FFAR4NPY5RHRH3RIPK1
SCHEMBL550412 1.00 HSD11B1 (0.38) HSD11B1FFAR4NPY5RHRH3RIPK1
SCHEMBL549770 1.00 HSD11B1 (0.38) HSD11B1FFAR4NPY5RHRH3RIPK1
SCHEMBL2701197 1.00 HSD11B1 (0.38) HSD11B1FFAR4NPY5RHRH3RIPK1
SCHEMBL2701199 1.00 HSD11B1 (0.38) HSD11B1FFAR4NPY5RHRH3RIPK1
SCHEMBL4570202 0.92 FFAR4 (0.43) HSD11B1FFAR4HRH3
SCHEMBL2698314 0.90 FFAR4 (0.45) HSD11B1FFAR4
SCHEMBL551029 0.90 FFAR4 (0.45) HSD11B1FFAR4
SCHEMBL550700 0.90 FFAR4 (0.45) HSD11B1FFAR4
SCHEMBL550699 0.90 FFAR4 (0.45) HSD11B1FFAR4

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-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed