SCHEMBL6618871

SCHEMBL6618871

CCCCOC(=O)c1cn(C[C@H]2CN(c3ccc(C4(C#N)CC4)cc3)C(=O)O2)nn1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.43
SIGMAR1 Q99720 13/20 0.42
MAOA P21397 1/20 0.42
KCNH2 Q12809 2/20 0.40

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
SCHEMBL6624309 0.86 MAOA (0.55) GRM2SIGMAR1MAOAKCNH2
SCHEMBL6621493 0.85 KCNH2 (0.43) GRM2SIGMAR1MAOAKCNH2
SCHEMBL6609268 0.84 KCNH2 (0.43) SIGMAR1MAOAKCNH2
SCHEMBL6607727 0.84 KCNH2 (0.43) GRM2SIGMAR1MAOAKCNH2
SCHEMBL6622863 0.84 KCNH2 (0.43) SIGMAR1MAOAKCNH2
SCHEMBL6607680 0.81 MAOA (0.54) GRM2SIGMAR1MAOAKCNH2
SCHEMBL6621257 0.81 KCNH2 (0.46) GRM2SIGMAR1MAOAKCNH2
SCHEMBL6620288 0.79 MAOA (0.51) SIGMAR1MAOAKCNH2
SCHEMBL6766942 0.78 KCNH2 (0.44) GRM2SIGMAR1MAOAKCNH2
SCHEMBL6620952 0.78 SIGMAR1 (0.43) GRM2SIGMAR1MAOAKCNH2

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