SCHEMBL471656

SCHEMBL471656

Bc1ccc(C(=O)N(CC)CC)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
HSP90AA1 P07900 7/20 0.44
HSP90AB1 P08238 7/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
MLYCD O95822 1/20 0.41
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.41
CYP2D6 P10635 1/20 0.40
OPRD1 P41143 1/20 0.40
KCNH2 Q12809 1/20 0.40
KEAP1 Q14145 1/20 0.40
EED O75530 1/20 0.38

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
SCHEMBL509845 0.84 HPGD (0.58) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13666585 0.81 HPGD (0.49) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2170651 0.81 HPGD (0.57) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL16562959 0.78 KMT2A (0.52) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1536288 0.78 HTT (0.55) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL26178673 0.78 KMT2A (0.40) HPGDKMT2ASMN1; SMN2TSHRHSP90AA1
SCHEMBL3739313 0.77 HPGD (0.51) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL471629 0.77 HPGD (0.61) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13144235 0.76 HSP90AA1 (0.52) HPGDLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL29381824 0.76 TSHR (0.75) HPGDLMNAMEN1KMT2ASMN1; SMN2

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-2399577-A1 Use of N-containing spirocompounds for the enhancement of cognitive function Adolor Corporation (US) 2011-12-28 EP disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed