SCHEMBL6625404

SCHEMBL6625404

Cc1cc(N2C(=O)OC[C@@H]2CN)ccc1C1(C#N)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 2/20 0.33
IDH1 O75874 2/20 0.33
ADRA1A P35348 1/20 0.32
AR P10275 1/20 0.30
QPCT Q16769 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
SCHEMBL6607697 1.00 STING1 (0.33) STING1IDH1ADRA1AARQPCT
SCHEMBL6607557 0.88 IDH1 (0.37) STING1IDH1QPCT
SCHEMBL6625580 0.88 IDH1 (0.37) STING1IDH1QPCT
SCHEMBL6622011 0.82 IDH1 (0.37) STING1IDH1
SCHEMBL6773589 0.77 F10 (0.46)
SCHEMBL6607861 0.77 F10 (0.46)
SCHEMBL6679851 0.70 MAOA (0.56)
SCHEMBL6679857 0.70 MAOA (0.56)
SCHEMBL17287889 0.69 HSP90AA1 (0.42) IDH1ADRA1A
SCHEMBL29950062 0.67 NOTUM (0.41) 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