SCHEMBL13745748

SCHEMBL13745748

O=C(C1CCNCC1)N1CCC2(CC1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 7/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HPGD P15428 1/20 0.55
CHRNB2 P17787 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
CHRNB3 Q05901 1/20 0.53
CHRNA6 Q15825 1/20 0.53
KMT2A Q03164 3/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11772760 0.88 MAPK1 (0.68) LMNAMAPK1ALDH1A1L3MBTL1HPGD
SCHEMBL24322639 0.82 ALDH1A1 (0.54) LMNAMAPK1ALDH1A1L3MBTL1HPGD
SCHEMBL1224548 0.82 ALDH1A1 (0.54) LMNAMAPK1ALDH1A1L3MBTL1HPGD
SCHEMBL13745578 0.81 LMNA (0.68) LMNAMAPK1ALDH1A1L3MBTL1HPGD
SCHEMBL27109069 0.78 CHRNB2 (0.75) LMNAALDH1A1HPGDCHRNB2CHRNA3
SCHEMBL16207607 0.78 CHRNB2 (0.58) LMNAMAPK1ALDH1A1HPGDCHRNB2
SCHEMBL25840976 0.78 CHRNB2 (0.58) LMNAMAPK1ALDH1A1HPGDCHRNB2
SCHEMBL493454 0.78 CHRNB2 (0.62) LMNAMAPK1ALDH1A1HPGDCHRNB2
SCHEMBL1706180 0.77 CHRNB2 (0.87) ALDH1A1HPGDCHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL2591580 0.76 CHRNB2 (0.60) LMNAMAPK1ALDH1A1HPGDCHRNB2

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-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed