SCHEMBL550176

SCHEMBL550176

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN(c1ccc(-c3cccnc3)cn1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.42
HCRTR1 O43613 2/20 0.42
PIM1 P11309 4/20 0.39
PIK3CA P42336 1/20 0.38
HSD11B1 P28845 5/20 0.38
SMO Q99835 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CNR2 P34972 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL551046 1.00 HCRTR2 (0.42) HCRTR2HCRTR1PIM1PIK3CAHSD11B1
SCHEMBL2700944 1.00 HCRTR2 (0.42) HCRTR2HCRTR1PIM1PIK3CAHSD11B1
SCHEMBL2699847 0.90 HSD11B1 (0.45) HCRTR2HCRTR1PIK3CAHSD11B1CNR2
SCHEMBL551432 0.90 HSD11B1 (0.45) HCRTR2HCRTR1PIK3CAHSD11B1CNR2
SCHEMBL554434 0.90 HSD11B1 (0.45) HCRTR2HCRTR1PIK3CAHSD11B1CNR2
SCHEMBL2700334 0.90 PIK3CA (0.39) HCRTR2HCRTR1PIK3CAHSD11B1EGLN1
SCHEMBL550972 0.90 PIK3CA (0.39) HCRTR2HCRTR1PIK3CAHSD11B1EGLN1
SCHEMBL550971 0.90 PIK3CA (0.39) HCRTR2HCRTR1PIK3CAHSD11B1EGLN1
SCHEMBL2700330 0.90 PIK3CA (0.39) HCRTR2HCRTR1PIK3CAHSD11B1EGLN1
SCHEMBL550906 0.90 PIK3CA (0.39) HCRTR2HCRTR1PIK3CAHSD11B1EGLN1

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