SCHEMBL7703690

SCHEMBL7703690

FC(F)(F)c1cc(CCBr)ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.44
TDP1 Q9NUW8 1/20 0.42
MMP2 P08253 3/20 0.41
MMP3 P08254 2/20 0.41
RORC P51449 1/20 0.41
S1PR3 Q99500 5/20 0.40
SLC13A5 Q86YT5 1/20 0.39
GBA1 P04062 2/20 0.39
LCT P09848 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39

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
SCHEMBL28942354 0.88 S1PR1 (0.43) S1PR1TDP1S1PR3
SCHEMBL27638657 0.86 CSNK2A1 (0.48) S1PR1S1PR3
SCHEMBL3898700 0.81 PDK2 (0.47) S1PR1MMP2MMP3RORCS1PR3
SCHEMBL7461260 0.80 SLC13A5 (0.53) TDP1SLC13A5
SCHEMBL6673882 0.80 CSNK2A1 (0.57) S1PR1RORCS1PR3GBA1LCT
SCHEMBL7368161 0.80 RORC (0.48) S1PR1MMP2MMP3RORCS1PR3
SCHEMBL27384582 0.79 TDP1 (0.52) TDP1
SCHEMBL11192457 0.78 TDP1 (0.47) TDP1
SCHEMBL11831544 0.78 MMP2 (0.47) S1PR1MMP2MMP3RORCS1PR3
SCHEMBL27942311 0.77 RORC (0.44) S1PR1MMP2MMP3RORCS1PR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216996-A2 Method to synthesise biphenylyl derivatives SANOFI-SYNTHELABO (FR) 2002-06-26 EP disclosed
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP disclosed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 WO disclosed
CN-1066070-A Promote the new benzo-fused lactams that tethelin discharges MERCK & CO INC (US) 1992-11-11 CN disclosed