SCHEMBL9055385

SCHEMBL9055385

O=C(O)N1CCOCC1CC=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
HSP90AA1 P07900 1/20 0.42
MAOB P27338 1/20 0.40
PAM P19021 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 1/20 0.38
DPP4 P27487 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
GSTP1 P09211 1/20 0.37
AGTR2 P50052 1/20 0.37
POLB P06746 2/20 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
SCHEMBL14646637 0.76 DPP4 (0.57) DPP4AGTR2
SCHEMBL14645771 0.76 DPP4 (0.57) DPP4AGTR2
SCHEMBL2459425 0.75 PDK1 (0.39) L3MBTL1DPP4
SCHEMBL14646630 0.75 DPP4 (0.51) RAB9AHSP90AA1KMT2AMEN1DPP4
SCHEMBL1502273 0.74 PDK1 (0.38) RAB9AL3MBTL1DPP4
SCHEMBL23910438 0.74 SMN1; SMN2 (0.47) RAB9AKMT2AMEN1ALDH1A1NPC1
SCHEMBL4286507 0.73 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2USP2
SCHEMBL4286502 0.73 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2USP2
SCHEMBL5560259 0.70 PDK1 (0.59) L3MBTL1DPP4POLB
SCHEMBL509358 0.70 PDK1 (0.59) L3MBTL1DPP4POLB

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-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed