SCHEMBL27593192

SCHEMBL27593192

[CH2]Cc1cnc(CC(C)C)s1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL12394759 0.86 ALDH1A1 (0.33) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL12462040 0.82 FDPS (0.39) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3347182 0.81 MEN1 (0.31) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3347187 0.81 LOXL2 (0.33) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3350511 0.81 HRH3 (0.34) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL13333690 0.78 MEN1 (0.32) ADRB2ADRB1ADRB3
SCHEMBL130211 0.78
SCHEMBL13306238 0.77
SCHEMBL2629266 0.75 SLC6A3 (0.44) ALDH1A1
SCHEMBL20341001 0.74 FBP1 (0.34)

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
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN disclosed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN disclosed