SCHEMBL7468280

SCHEMBL7468280

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
GLA P06280 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
SCN5A Q14524 1/20 0.49
SCN3A Q9NY46 1/20 0.49
USP30 Q70CQ3 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ELANE P08246 1/20 0.49
DPP4 P27487 1/20 0.49

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
SCHEMBL7469565 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBMEN1
SCHEMBL10203304 0.85 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAPOLBMEN1
SCHEMBL893796 0.85 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAPOLBMEN1
SCHEMBL4366597 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAPKMPOLB
SCHEMBL5173012 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAPKMPOLB
SCHEMBL6508896 0.84 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAPKMPOLB
SCHEMBL7411698 0.83 NPC1 (0.61) ALDH1A1SMN1; SMN2LMNAHTTPOLB
SCHEMBL8295418 0.82 HDAC8 (0.55) ALDH1A1SMN1; SMN2LMNAGLAPKM
SCHEMBL6470048 0.82 HDAC8 (0.55) ALDH1A1SMN1; SMN2LMNAGLAPKM
SCHEMBL18094981 0.82 POLB (0.49) ALDH1A1SMN1; SMN2LMNAPOLBMEN1

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
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed