SCHEMBL17082136

SCHEMBL17082136

O=C1N(C2CCCCC2)CCC12CCCN(c1ncccc1C(F)(F)F)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.48
HRH3 Q9Y5N1 1/20 0.43
EPHX2 P34913 1/20 0.43
LCAT P04180 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
GAA P10253 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
SCHEMBL550836 0.92 LCAT (0.43) HSD11B1HRH3EPHX2LCATTRPV1
SCHEMBL550164 0.92 LCAT (0.43) HSD11B1HRH3EPHX2LCATTRPV1
SCHEMBL550163 0.92 LCAT (0.43) HSD11B1HRH3EPHX2LCATTRPV1
SCHEMBL550071 0.92 LCAT (0.43) HSD11B1HRH3EPHX2LCATTRPV1
SCHEMBL2700133 0.92 LCAT (0.43) HSD11B1HRH3EPHX2LCATTRPV1
SCHEMBL550221 0.92 LCAT (0.43) HSD11B1HRH3EPHX2LCATTRPV1
SCHEMBL550072 0.92 LCAT (0.43) HSD11B1HRH3EPHX2LCATTRPV1
SCHEMBL2701622 0.92 LCAT (0.43) HSD11B1HRH3EPHX2LCATTRPV1
SCHEMBL2700135 0.92 LCAT (0.43) HSD11B1HRH3EPHX2LCATTRPV1
SCHEMBL549583 0.91 EPHX2 (0.41) HSD11B1HRH3EPHX2LCATTRPV1

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
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed