SCHEMBL550723

SCHEMBL550723

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN(c1ccnc(Cl)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
HSD11B1 P28845 10/20 0.41
CYP17A1 P05093 4/20 0.36
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL550724 1.00 HTR7 (0.42) HTR7HSD11B1CYP17A1HCRTR1HCRTR2
SCHEMBL2699553 1.00 HTR7 (0.42) HTR7HSD11B1CYP17A1HCRTR1HCRTR2
SCHEMBL2699556 1.00 HTR7 (0.42) HTR7HSD11B1CYP17A1HCRTR1HCRTR2
SCHEMBL553721 1.00 HTR7 (0.42) HTR7HSD11B1CYP17A1HCRTR1HCRTR2
SCHEMBL553722 1.00 HTR7 (0.42) HTR7HSD11B1CYP17A1HCRTR1HCRTR2
SCHEMBL5631870 0.90 HTR7 (0.43) HTR7HSD11B1CYP17A1PTPN11
SCHEMBL4724244 0.90 HTR7 (0.43) HTR7HSD11B1CYP17A1PTPN11
SCHEMBL550718 0.83 HSD11B1 (0.41) HSD11B1HCRTR1HCRTR2
SCHEMBL550719 0.83 HSD11B1 (0.41) HSD11B1HCRTR1HCRTR2
SCHEMBL550847 0.81 HSD11B1 (0.41) HSD11B1HCRTR1HCRTR2

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