SCHEMBL9067293

SCHEMBL9067293

CCCCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.85
SMN1; SMN2 Q16637 3/20 0.85
LMNA P02545 1/20 0.85
RECQL P46063 1/20 0.73
TSHR P16473 1/20 0.60
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AKR1C3 P42330 1/20 0.44

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
SCHEMBL533646 0.94 POLB (0.97) POLBSMN1; SMN2LMNARECQLTSHR
SCHEMBL11037821 0.89 POLB (0.87) POLBSMN1; SMN2LMNARECQLTSHR
SCHEMBL30943574 0.88 POLB (0.85) POLBSMN1; SMN2LMNARECQLTSHR
SCHEMBL18672819 0.87 POLB (0.84) POLBSMN1; SMN2LMNARECQLTSHR
SCHEMBL9405372 0.85 POLB (0.73) POLBSMN1; SMN2LMNARECQLTSHR
SCHEMBL465225 0.83 SMN1; SMN2 (0.77) POLBSMN1; SMN2LMNARECQLTSHR
SCHEMBL2380518 0.80 POLB (0.72) POLBSMN1; SMN2LMNARECQLTSHR
SCHEMBL12544736 0.79 SMN1; SMN2 (0.71) POLBSMN1; SMN2LMNARECQLTSHR
SCHEMBL5594520 0.78 POLB (0.65) POLBSMN1; SMN2LMNARECQLTSHR
SCHEMBL5594524 0.78 POLB (0.65) POLBSMN1; SMN2LMNARECQLTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690713-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-10 EP disclosed
WO-1994021254-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed