SCHEMBL550213

SCHEMBL550213

CC(C)C(=O)Nc1ccc(N2CCCC3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.47
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DDB1 Q16531 1/20 0.38
PDE7A Q13946 2/20 0.37
RECQL P46063 2/20 0.36
KDM4E B2RXH2 2/20 0.36
FASN P49327 4/20 0.35
TRPV1 Q8NER1 2/20 0.35
PIK3CA P42336 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PANK3 Q9H999 1/20 0.34
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL550214 1.00 CRBN (0.47) CRBNMAPTALDH1A1NPSR1DDB1
SCHEMBL551065 1.00 CRBN (0.47) CRBNMAPTALDH1A1NPSR1DDB1
SCHEMBL2699052 1.00 CRBN (0.47) CRBNMAPTALDH1A1NPSR1DDB1
SCHEMBL551066 1.00 CRBN (0.47) CRBNMAPTALDH1A1NPSR1DDB1
SCHEMBL2699057 1.00 CRBN (0.47) CRBNMAPTALDH1A1NPSR1DDB1
SCHEMBL551024 0.90 CRBN (0.59) CRBNMAPTALDH1A1DDB1PDE7A
SCHEMBL551023 0.90 CRBN (0.59) CRBNMAPTALDH1A1DDB1PDE7A
SCHEMBL2699725 0.90 CRBN (0.59) CRBNMAPTALDH1A1DDB1PDE7A
SCHEMBL550039 0.90 CRBN (0.59) CRBNMAPTALDH1A1DDB1PDE7A
SCHEMBL2699729 0.90 CRBN (0.59) CRBNMAPTALDH1A1DDB1PDE7A

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