SCHEMBL549533

SCHEMBL549533

O=C(Nc1ccc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)nc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.46
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
ABL1 P00519 2/20 0.37
NPY5R Q15761 4/20 0.37
DDB1 Q16531 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
JAK1 P23458 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE7A Q13946 1/20 0.36

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
SCHEMBL549314 1.00 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1
SCHEMBL549532 1.00 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1
SCHEMBL2700381 1.00 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1
SCHEMBL549313 1.00 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1
SCHEMBL2700378 1.00 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1
SCHEMBL551021 0.97 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1
SCHEMBL2698085 0.97 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1
SCHEMBL549383 0.97 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1
SCHEMBL549415 0.97 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1
SCHEMBL551561 0.97 CRBN (0.46) CRBNKMT2AALDH1A1MEN1NPC1

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