SCHEMBL6688045

SCHEMBL6688045

CCN1CCCN(C(=O)c2cccc(C(N)=O)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 2/20 0.50
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.49
GRIN2B Q13224 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 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
SCHEMBL3226370 0.95 LMNA (0.57) PARP1SMN1; SMN2LMNAKMT2ATSHR
SCHEMBL6927393 0.90 PARP1 (0.56) PARP1SMN1; SMN2LMNAKMT2ATSHR
SCHEMBL6703688 0.88 PARP1 (0.49) PARP1SMN1; SMN2LMNAKMT2ATSHR
SCHEMBL6688048 0.87 PARP1 (0.54) PARP1SMN1; SMN2LMNAKMT2ATSHR
SCHEMBL6695768 0.86 CYP2D6 (0.54) PARP1SMN1; SMN2LMNAKMT2ATSHR
SCHEMBL6688413 0.86 CNR2 (0.51) PARP1SMN1; SMN2LMNAKMT2ATSHR
SCHEMBL6692746 0.86 CNR2 (0.51) PARP1SMN1; SMN2LMNAKMT2ATSHR
SCHEMBL367502 0.83 HPGD (0.65) SMN1; SMN2LMNAKMT2ATSHRMAPK1
SCHEMBL14786240 0.83 ALDH1A1 (0.62) PARP1SMN1; SMN2LMNAKMT2ATSHR
Benzamide SCHEMBL10722500 0.82 BLM (0.60) SMN1; SMN2LMNAKMT2AMAPK1MEN1

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
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO disclosed