SCHEMBL6817246

SCHEMBL6817246

O=C(/C=C/c1cc[c]c(Cl)c1Cl)N1CCN(CCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
GPR183 P32249 6/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CCR1 P32246 1/20 0.37

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
SCHEMBL6918679 0.88 GPR183 (0.53) F2RMAPTL3MBTL1KMT2ATDP1
SCHEMBL6921378 0.83 MAPT (0.52) MAPTL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6221015 0.81 ALPL (0.47) F2RMAPTL3MBTL1KMT2AMEN1
SCHEMBL6918094 0.80 RAB9A (0.56) L3MBTL1TDP1ALDH1A1HPGDRAB9A
SCHEMBL6921387 0.79 L3MBTL1 (0.42) MAPTL3MBTL1KMT2AMEN1GAA
SCHEMBL7064160 0.77 F2R (0.38) F2RMAPTL3MBTL1KMT2AGPR183
SCHEMBL6218242 0.77 ITGAL (0.52) MAPTL3MBTL1RAB9APOLBSMN1; SMN2
SCHEMBL6919351 0.76 SMN1; SMN2 (0.53) MAPTL3MBTL1ALDH1A1RAB9APOLB
SCHEMBL6919430 0.76 RAB9A (0.39) F2RMAPTL3MBTL1TDP1GAA
SCHEMBL6817245 0.75 ALDH1A1 (0.39) MAPTGAAALDH1A1HPGDHSD17B10

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