SCHEMBL6622011

SCHEMBL6622011

N#CC1(c2ccc(N3C(=O)OCC3CN)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.37
STING1 Q86WV6 2/20 0.35
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
OPRM1 P35372 4/20 0.33
IL4I1 Q96RQ9 1/20 0.32
FPR2 P25090 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
SCHEMBL6625580 0.82 IDH1 (0.37) IDH1STING1
SCHEMBL6607557 0.82 IDH1 (0.37) IDH1STING1
SCHEMBL6607697 0.82 STING1 (0.33) IDH1STING1
SCHEMBL6625404 0.82 STING1 (0.33) IDH1STING1
SCHEMBL6607264 0.72 F10 (0.53)
SCHEMBL6608484 0.72 F10 (0.53)
SCHEMBL5026822 0.69 ALDH1A1 (0.44) ALDH1A1
SCHEMBL17287889 0.69 HSP90AA1 (0.42) IDH1ALDH1A1
SCHEMBL6606323 0.68 OPRM1 (0.40) ALDH1A1GAAOPRM1FPR2
SCHEMBL2107339 0.67 IDH1 (0.38) IDH1

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