SCHEMBL6606701

SCHEMBL6606701

N#CC1(c2ccc(N3C[C@@H](Cc4c[nH]nn4)OC3=O)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.40
KCNH2 Q12809 3/20 0.39
MAOA P21397 8/20 0.36
MAOB P27338 5/20 0.35
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
SDHA P31040 1/20 0.35

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
SCHEMBL5743242 0.82 CALML3 (0.44) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL6685146 0.80 CALML3 (0.57) CALML3KCNH2MAOAMAOBLMNA
SCHEMBL6685151 0.80 CALML3 (0.57) CALML3KCNH2MAOAMAOBLMNA
SCHEMBL6608322 0.80 F10 (0.46) CALML3KCNH2MAOAMAOBLMNA
SCHEMBL6607578 0.80 F10 (0.46) CALML3KCNH2MAOAMAOBLMNA
SCHEMBL5738529 0.80 GRM2 (0.35) CALML3MAOAMAOB
SCHEMBL5738634 0.78 CALML3 (0.40) CALML3MAOAMAOB
SCHEMBL6608964 0.77 CALML3 (0.42) CALML3KCNH2MAOAMAOBLMNA
SCHEMBL4766697 0.76 GRM2 (0.45) CALML3MAOA
SCHEMBL6612683 0.75 MAOA (0.63) KCNH2MAOAMAOB

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-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 WO disclosed