SCHEMBL8024132

SCHEMBL8024132

CCc1ccc(C(C)Br)cc1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ESR1 P03372 2/20 0.32
HIF1A Q16665 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL11436873 0.82 ALOX15 (0.39) ALOX15ALOX12GABRA1GABRB2AKR1C3
SCHEMBL7081445 0.82 LMNA (0.41) ALOX15ALOX12AKR1C3AKR1C2HSP90AA1
SCHEMBL10361523 0.78 ADRB2 (0.41) ALOX15ALOX12GABRA1GABRB2AKR1C3
SCHEMBL16959034 0.78 ALOX15 (0.36) ALOX15ALOX12AKR1C3AKR1C2GRIN2D
SCHEMBL8543170 0.77 GABRA1 (0.38) GABRA1GABRB2AKR1C3AKR1C2HSP90AA1
SCHEMBL6816674 0.76 F2 (0.34) ALOX15ALOX12GRIN2DGRIN3BGRIN1
SCHEMBL27530982 0.75 AKR1C3 (0.45) ALOX15ALOX12AKR1C3AKR1C2ESR1
SCHEMBL27530985 0.75 ALOX15 (0.34) ALOX15ALOX12AKR1C3AKR1C2
SCHEMBL8074559 0.75 LMNA (0.35) ALOX15LMNAMAPTSLC6A2SLC6A3
SCHEMBL11092242 0.74 DAO (0.39) ESR1LMNASLC6A2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017385-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-beta 1 SANOFI-SYNTHELABO (FR) 2000-07-12 EP disclosed
EP-0979079-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 2000-02-16 EP disclosed
EP-0950048-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI-SYNTHELABO (FR) 1999-10-20 EP disclosed
WO-1998053821-A1 USE OF 4-SUBSTITUTED TETRAHYDROPYRIDINES FOR MAKING MEDICINES ACTING ON TGF-β1 SANOFI-SYNTHELABO (FR) 1998-12-03 WO disclosed
WO-1998048802-A1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI-SYNTHELABO (FR) 1998-11-05 WO disclosed
WO-1998025903-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI (FR) 1998-06-18 WO disclosed