SCHEMBL550123

SCHEMBL550123

N#Cc1ccc(Cl)cc1N1CCCC2(CCN([C@H]3CC[C@@H](O)CC3)C2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.43
HTR1A P08908 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
FFAR4 Q5NUL3 3/20 0.35
AR P10275 4/20 0.34
OTUD7B Q6GQQ9 1/20 0.34

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
SCHEMBL550124 1.00 HSD11B1 (0.43) HSD11B1HTR1AADRA1AADRA1BFFAR4
SCHEMBL2699601 1.00 HSD11B1 (0.43) HSD11B1HTR1AADRA1AADRA1BFFAR4
SCHEMBL2699603 1.00 HSD11B1 (0.43) HSD11B1HTR1AADRA1AADRA1BFFAR4
SCHEMBL551079 1.00 HSD11B1 (0.43) HSD11B1HTR1AADRA1AADRA1BFFAR4
SCHEMBL551078 1.00 HSD11B1 (0.43) HSD11B1HTR1AADRA1AADRA1BFFAR4
SCHEMBL2699722 0.88 HSD11B1 (0.35) HSD11B1FFAR4AR
SCHEMBL549674 0.88 HSD11B1 (0.35) HSD11B1FFAR4AR
SCHEMBL550210 0.88 HSD11B1 (0.35) HSD11B1FFAR4AR
SCHEMBL549673 0.88 HSD11B1 (0.35) HSD11B1FFAR4AR
SCHEMBL17082093 0.88 HSD11B1 (0.35) HSD11B1FFAR4AR

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