SCHEMBL550072

SCHEMBL550072

O=C1N(C2CCC(O)CC2)CCC12CCCN(c1ncccc1C(F)(F)F)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCAT P04180 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
EPHX2 P34913 1/20 0.41
HSD11B1 P28845 6/20 0.41
TRPV1 Q8NER1 6/20 0.41
GAA P10253 1/20 0.40
RBP4 P02753 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
SCHEMBL550163 1.00 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1
SCHEMBL2700133 1.00 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1
SCHEMBL550836 1.00 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1
SCHEMBL550164 1.00 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1
SCHEMBL2701622 1.00 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1
SCHEMBL550221 1.00 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1
SCHEMBL2700135 1.00 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1
SCHEMBL550071 1.00 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1
SCHEMBL550541 0.97 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1
SCHEMBL550540 0.97 LCAT (0.43) LCATHRH3EPHX2HSD11B1TRPV1

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 3 patents. 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
EP-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP disclosed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO disclosed