SCHEMBL5738529

SCHEMBL5738529

N#CC1(c2ccc(-c3ccc(N4C[C@@H](Cc5c[nH]nn5)OC4=O)cc3)cn2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.35
CALML3 P27482 2/20 0.33
FGFR1 P11362 4/20 0.33
FGFR4 P22455 4/20 0.33
FGFR3 P22607 2/20 0.33
FGFR2 P21802 1/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL5533776 0.83 CALML3 (0.47) GRM2CALML3MAOAMAOB
SCHEMBL5533771 0.83 CALML3 (0.47) GRM2CALML3MAOAMAOB
SCHEMBL5531273 0.80 GRM2 (0.40) GRM2CALML3
SCHEMBL5531268 0.80 GRM2 (0.40) GRM2CALML3
SCHEMBL6606701 0.80 CALML3 (0.40) CALML3MAOAMAOB
SCHEMBL5531671 0.78 GRM2 (0.39) GRM2
SCHEMBL5531661 0.78 GRM2 (0.39) GRM2
SCHEMBL5523064 0.77 ABCB11 (0.48) CALML3MAOAMAOB
SCHEMBL5519710 0.77 MAOA (0.53) MAOAMAOB
SCHEMBL5739114 0.76 MAOA (0.38) CALML3MAOAMAOB

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