SCHEMBL6918679

SCHEMBL6918679

CCN1CCN(C(=O)/C=C/c2cc[c]c(Cl)c2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.53
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2R P25116 1/20 0.44
GAA P10253 1/20 0.41
CCR1 P32246 1/20 0.40

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
SCHEMBL6817246 0.88 F2R (0.42) GPR183KMT2ATDP1MEN1ALDH1A1
SCHEMBL6921378 0.85 MAPT (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6918094 0.82 RAB9A (0.56) TDP1ALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL6921387 0.81 L3MBTL1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6218242 0.79 ITGAL (0.52) SMN1; SMN2MAPTL3MBTL1
SCHEMBL6919351 0.78 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL6921137 0.78 GPR183 (0.38) GPR183TDP1ALDH1A1MAPTL3MBTL1
SCHEMBL6919430 0.78 RAB9A (0.39) TDP1ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL14218034 0.76 TDP1 (0.61) GPR183KMT2ATDP1MEN1ALDH1A1
SCHEMBL6921585 0.76 NPC1 (0.42) GPR183KMT2AMEN1ALDH1A1SMN1; SMN2

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-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP claimed