SCHEMBL549893

SCHEMBL549893

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN(c1ccc(-c3ccc(F)nc3)cn1)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
HSD11B1 P28845 10/20 0.37
NPY5R Q15761 5/20 0.35
CRBN Q96SW2 3/20 0.35
DDB1 Q16531 1/20 0.35
HCRTR2 O43614 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
SCHEMBL2697967 1.00 PIK3CA (0.39) PIK3CAHSD11B1NPY5RCRBNDDB1
SCHEMBL551083 1.00 PIK3CA (0.39) PIK3CAHSD11B1NPY5RCRBNDDB1
SCHEMBL551141 0.92 HSD11B1 (0.42) PIK3CAHSD11B1NPY5RCRBNDDB1
SCHEMBL2700785 0.92 HSD11B1 (0.42) PIK3CAHSD11B1NPY5RCRBNDDB1
SCHEMBL551140 0.92 HSD11B1 (0.42) PIK3CAHSD11B1NPY5RCRBNDDB1
SCHEMBL2700789 0.92 HSD11B1 (0.42) PIK3CAHSD11B1NPY5RCRBNDDB1
SCHEMBL550906 0.88 PIK3CA (0.39) PIK3CAHSD11B1CRBNDDB1HCRTR2
SCHEMBL551432 0.88 HSD11B1 (0.45) PIK3CAHSD11B1CRBNDDB1HCRTR2
SCHEMBL2700334 0.88 PIK3CA (0.39) PIK3CAHSD11B1CRBNDDB1HCRTR2
SCHEMBL550971 0.88 PIK3CA (0.39) PIK3CAHSD11B1CRBNDDB1HCRTR2

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