SCHEMBL14734963

SCHEMBL14734963

NC(=O)c1cncc(C2CC(CCc3cccc(C(=O)N4CCCCC4)c3)CCN2C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PARP14 Q460N5 1/20 0.38
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL15310322 0.99 PARP1 (0.41) PARP1KDM1AALDH1A1PARP14RAB9A
SCHEMBL14659369 0.92 PARP14 (0.42) PARP1KDM1APARP14
SCHEMBL15310356 0.87 OPRK1 (0.43) PARP14
SCHEMBL14734880 0.86 SIRT2 (0.37) PARP14SMN1; SMN2
SCHEMBL15310418 0.83 KCNH2 (0.38) KDM1APARP14
SCHEMBL1532863 0.77 FAAH (0.49) PARP1ALDH1A1PARP14RAB9ANPC1
SCHEMBL1532872 0.76 FAAH (0.50) PARP1ALDH1A1PARP14RAB9ANPC1
SCHEMBL15310277 0.75 L3MBTL3 (0.49) ALDH1A1RAB9ANPC1SMN1; SMN2PKM
SCHEMBL15310435 0.74 L3MBTL3 (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2PKM
SCHEMBL1532785 0.73 OPRM1 (0.44) PARP1KDM1APARP14

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