SCHEMBL13972744

SCHEMBL13972744

Cc1ccc(N)c(C)c1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.36
PARP10 Q53GL7 3/20 0.36
PARP2 Q9UGN5 2/20 0.36
CXCR5 P32302 1/20 0.36
SCN5A Q14524 1/20 0.35
RIPK1 Q13546 1/20 0.34
CNR2 P34972 3/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HTR2C P28335 2/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31

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
SCHEMBL27268063 0.81 RIPK1 (0.41) PARP15PARP10PARP2RIPK1NOS3
SCHEMBL13105734 0.77 CXCR5 (0.37) PARP15PARP10PARP2CXCR5SCN5A
SCHEMBL16372678 0.76 MEN1 (0.42) SCN5AALDH1A1SMN1; SMN2TDP1
SCHEMBL11936039 0.73 PTGER4 (0.33) CXCR5CNR2ALDH1A1HTT
SCHEMBL16046454 0.73 HTR2C (0.40) RIPK1CNR2NOS3NOS1NOS2
SCHEMBL12432327 0.72 PARP10 (0.46) PARP15PARP10PARP2TDP1
SCHEMBL28474252 0.72 RIPK1 (0.47) RIPK1ALDH1A1HTR2C
SCHEMBL11935508 0.72 PTGER4 (0.41) CXCR5CNR2
SCHEMBL13439251 0.72 PTGER4 (0.41) CXCR5CNR2
SCHEMBL27842342 0.72 CXCR5 (0.44) PARP15PARP10PARP2CXCR5CNR2

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-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed