SCHEMBL8099489

SCHEMBL8099489

C=CCN[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
HTR1A P08908 1/20 0.46
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NAMPT P43490 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
PRCP P42785 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 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
SCHEMBL8099494 1.00 SIGMAR1 (0.50) SIGMAR1HTR1ASLC6A4SLC6A3NAMPT
SCHEMBL3894933 0.81 SIGMAR1 (0.50) SIGMAR1HTR1ASLC6A4SLC6A3PRCP
SCHEMBL2032504 0.81 SIGMAR1 (0.50) SIGMAR1HTR1APRCPOPRM1MAOB
SCHEMBL3894893 0.81 SIGMAR1 (0.50) SIGMAR1HTR1ASLC6A4SLC6A3PRCP
Bromide SCHEMBL2033211 0.80 SIGMAR1 (0.49) SIGMAR1HTR1APRCPOPRM1MAOB
SCHEMBL12472928 0.79 SLC6A4 (0.47) SLC6A4SLC6A3NAMPTMEN1ALDH1A1
SCHEMBL22916246 0.79 SLC6A4 (0.47) SLC6A4SLC6A3NAMPTMEN1ALDH1A1
SCHEMBL21916845 0.79 SLC6A4 (0.47) SLC6A4SLC6A3NAMPTMEN1ALDH1A1
SCHEMBL8437280 0.79 SLC6A4 (0.47) SLC6A4SLC6A3NAMPTMEN1ALDH1A1
SCHEMBL13256435 0.79 SLC6A4 (0.47) SLC6A4SLC6A3NAMPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763005-B1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR INC (US) 2000-08-23 EP disclosed
EP-0763005-A4 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR INC (US) 1997-10-22 EP disclosed
EP-0763005-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1997-03-19 EP disclosed
US-5495054-A REDUCING PROCHIRAL KETONES TO ENANTIOMERICALLY PURE ALCOHOLS WITH BORANE REDUCING AGENT SEPRACOR, INC. (US) 1996-02-27 US disclosed
WO-1995032937-A1 TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS SEPRACOR, INC. (US) 1995-12-07 WO disclosed