SCHEMBL5737368

SCHEMBL5737368

CC(C)(N)C1(c2ccc(Br)cn2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PLAU P00749 1/20 0.33
GBA1 P04062 1/20 0.33
BACE1 P56817 2/20 0.31
APP P05067 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL25297918 0.79 ALDH1A1 (0.34) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL2147572 0.72 ADRA2A (0.37) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL14946800 0.72 ALDH1A1 (0.39) ADRA2AADRA2BADRA2CPLAUGBA1
Hydrochloric Acid SCHEMBL15240864 0.71 ADRA2A (0.39) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL881806 0.69 ADRA2A (0.35) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL12310257 0.68 ALDH1A1 (0.36) GBA1ALDH1A1KDM4E
SCHEMBL26633266 0.67 GBA1 (0.33) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL5523044 0.66 DGAT1 (0.48) ALDH1A1KDM4EDGAT1
SCHEMBL31316741 0.66 ADRA2A (0.38) ADRA2AADRA2BADRA2CPLAUGBA1
SCHEMBL13637055 0.66 ADRA2A (0.38) ADRA2AADRA2BADRA2CPLAUGBA1

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
EP-1654259-A1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-10 EP disclosed
WO-2005005420-A1 CYCLOPROPYL GROUP SUBSTITUTED OYAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed