SCHEMBL3233247

SCHEMBL3233247

O=C(NC1CCCC1)N1CC2CCC(C1)NC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 4/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA7 P36544 3/20 0.42
CHRNA4 P43681 3/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 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
SCHEMBL3236377 0.80 CHRNB2 (0.45) POLBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3235821 0.77 KMT2A (0.46) HTTKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL3235635 0.76 CHRNB2 (0.66) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL20587813 0.75 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3240417 0.74 CHRNB2 (0.52) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL26694865 0.74 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3225870 0.74 LMNA (0.44) HTTKMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL3241502 0.73 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3236529 0.73 CHRNB2 (0.66) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3239097 0.72 CHRNB2 (0.75) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
WO-2010028011-A1 AMIDES OF DIAZABICYCLONONANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO claimed
WO-2010028011-A1 AMIDES OF DIAZABICYCLONONANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO disclosed