SCHEMBL14734880

SCHEMBL14734880

CN(C)C(=O)c1cccc(CCC2CCN(C(=O)O)C(c3cncc(C(N)=O)c3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
PARP14 Q460N5 1/20 0.37
OPRK1 P41145 2/20 0.35
KCNH2 Q12809 2/20 0.35
ACHE P22303 2/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 2/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
PRMT5 O14744 1/20 0.34
CAMK1D Q8IU85 1/20 0.34
DRD2 P14416 1/20 0.33
ROCK2 O75116 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK1 P28482 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33

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
SCHEMBL14659369 0.92 PARP14 (0.42) PARP14OPRK1KCNH2ACHEOPRM1
SCHEMBL15310356 0.88 OPRK1 (0.43) SIRT2SIRT1SIRT3PARP14OPRK1
SCHEMBL15310322 0.87 PARP1 (0.41) PARP14SMN1; SMN2
SCHEMBL14734963 0.86 PARP1 (0.41) PARP14SMN1; SMN2
SCHEMBL15310418 0.84 KCNH2 (0.38) PARP14OPRK1KCNH2ACHEMGLL
SCHEMBL1532764 0.76 FAAH (0.49) SIRT2SIRT1SIRT3PARP14OPRK1
SCHEMBL1532785 0.74 OPRM1 (0.44) PARP14OPRK1KCNH2OPRM1OPRD1
SCHEMBL15310405 0.74 ACHE (0.46) PARP14ACHEOPRM1OPRD1
SCHEMBL15310414 0.68 PARP14 (0.60) PARP14OPRK1KCNH2ACHEOPRM1
SCHEMBL1532748 0.67 FAAH (0.54) SIRT2SIRT1SIRT3PARP14OPRK1

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-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 EP claimed
EP-2564849-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DISEASES ASSOCIATED WITH PAINS IN URINARY ORGANS Astellas Pharma Inc. (JP) 2013-03-06 EP disclosed