SCHEMBL19423809

SCHEMBL19423809

CC[C@H]1OC[C@@H](O)Nc2ccc(CNC(=O)NCC(=O)N3CCC[C@@H]3C(F)(F)F)cc21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 18/20 0.49
▸ PPIG Q13427 5/20 0.38
▸ PPIB P23284 5/20 0.38

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
SCHEMBL19430068 1.00 PPID (0.49) PPIDPPIGPPIB
SCHEMBL19423719 0.89 PPID (0.50) PPIDPPIGPPIB
SCHEMBL19423577 0.89 PPID (0.50) PPIDPPIGPPIB
SCHEMBL19429783 0.86 PPID (0.57) PPIDPPIGPPIB
SCHEMBL19423583 0.84 PPID (0.47) PPIDPPIGPPIB
SCHEMBL19429764 0.84 PPID (0.44) PPIDPPIGPPIB
SCHEMBL19429758 0.82 PPID (0.73) PPIDPPIGPPIB
SCHEMBL19429982 0.82 PPID (0.73) PPIDPPIGPPIB
SCHEMBL19423765 0.82 PPID (0.73) PPIDPPIGPPIB
SCHEMBL19410011 0.82 PPID (0.68) PPIDPPIGPPIB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017173048-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — WO disclosed
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