SCHEMBL7394128

SCHEMBL7394128

BrCCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
SPHK1 Q9NYA1 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11282060 0.89 SPHK1 (0.45) SPHK1HTR2CHTR2BKCNH2HRH3
SCHEMBL11285374 0.86 SPHK1 (0.46) SPHK1PTGES2KMT2A
Cyanide SCHEMBL28768758 0.84 SPHK1 (0.44) TDP1SPHK1
SCHEMBL4163040 0.83 HAO1 (0.42) TDP1HTR2CHTR2BHAO1LMNA
SCHEMBL11676578 0.80 CA2 (0.45) TDP1SPHK1HTR2CHTR2BHAO1
SCHEMBL8933997 0.80 SIGMAR1 (0.49) HAO1PTGES2KMT2A
SCHEMBL11674681 0.80 SPHK1 (0.40) TDP1SPHK1HTR2CHTR2BHAO1
SCHEMBL4825135 0.80 SPHK1 (0.51) SPHK1
SCHEMBL4363948 0.80 BACE1 (0.56) TDP1SPHK1PTGES2ALDH1A1SMN1; SMN2
SCHEMBL5544467 0.80 SPHK1 (0.40) TDP1SPHK1HTR2CHTR2BHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1153765-C 4-aryl-1-phenylalkyl-1, 2,3, 6-tetrahydropyridines having neurotrophic and protective activity ��ŵ�Ѻϳ�ʵ���� 2004-06-16 CN disclosed
EP-0837848-B1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI SYNTHELABO (FR) 2002-09-11 EP disclosed
EP-1216996-A2 Method to synthesise biphenylyl derivatives SANOFI-SYNTHELABO (FR) 2002-06-26 EP disclosed
US-5981754-A TREATMENT OF ANOXIA, ALZHEIMER'S DISEASE, SENILE DEMENTIA, SUBCORTICAL DEMENTIA SUCH AS HUNTINGTON'S CHOREA AND PARKINSON'S DISEASE, DEMENTIA CAUSED BY AIDS, NEUROPATHY SANOFI (FR) 1999-11-09 US disclosed
CN-1189154-A 4-aryl-1-phenylalkyl-1,2,3,6-Tetrahydropyridines having neurotrophic and neuroprotective activity SANOFI SA (FR) 1998-07-29 CN 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