SCHEMBL9101854

SCHEMBL9101854

O=C(O)Nc1ccc(N2CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC3(CC2)CCN(C2CCC(O)CC2)C3=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.42
CRBN Q96SW2 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
PIK3CA P42336 1/20 0.40
DGAT1 O75907 3/20 0.40
SYK P43405 2/20 0.39
JAK2 O60674 1/20 0.39
FASN P49327 4/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MCHR1 Q99705 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4720617 0.94 CRBN (0.45) PDE7ACRBNKCNQ3KCNQ2PIK3CA
SCHEMBL4826982 0.94 CRBN (0.45) PDE7ACRBNKCNQ3KCNQ2PIK3CA
SCHEMBL2698179 0.91 CRBN (0.48) PDE7ACRBNKCNQ3KCNQ2PIK3CA
SCHEMBL3704498 0.91 CRBN (0.48) PDE7ACRBNKCNQ3KCNQ2PIK3CA
SCHEMBL3704501 0.91 CRBN (0.48) PDE7ACRBNKCNQ3KCNQ2PIK3CA
SCHEMBL2698177 0.91 CRBN (0.48) PDE7ACRBNKCNQ3KCNQ2PIK3CA
SCHEMBL10112705 0.83 CRBN (0.45) PDE7ACRBNTRPV1RAB9AL3MBTL1
SCHEMBL551023 0.83 CRBN (0.59) PDE7ACRBNKCNQ3KCNQ2PIK3CA
SCHEMBL551024 0.83 CRBN (0.59) PDE7ACRBNKCNQ3KCNQ2PIK3CA
SCHEMBL2699729 0.83 CRBN (0.59) PDE7ACRBNKCNQ3KCNQ2PIK3CA

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-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed