SCHEMBL15310277

SCHEMBL15310277

O=C(O)N1CCC(CCc2cccc(C(=O)N3CCCCC3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
MGLL Q99685 1/20 0.47
TP53 P04637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 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
SCHEMBL15310435 0.99 L3MBTL3 (0.50) L3MBTL3L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL16385957 0.89 RAB9A (0.52) L3MBTL3L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL16385959 0.88 RAB9A (0.51) L3MBTL3L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL12736095 0.86 RAB9A (0.48) L3MBTL3L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL16385954 0.86 RAB9A (0.48) L3MBTL3L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL12736039 0.85 ABL1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL12736091 0.84 PARP1 (0.48) L3MBTL3L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL15310414 0.84 PARP14 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12736038 0.83 KDM4E (0.52) L3MBTL3L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL15310405 0.81 ACHE (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 EP claimed