SCHEMBL19423570

SCHEMBL19423570

CCC1Nc2ccc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)cc2OC[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 19/20 0.68
▸ PPIG Q13427 8/20 0.61
▸ PPIB P23284 4/20 0.61
▸ PPIA P62937 1/20 0.44

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
SCHEMBL19423764 0.91 PPID (0.70) PPIDPPIGPPIBPPIA
SCHEMBL19423566 0.91 PPID (0.70) PPIDPPIGPPIBPPIA
SCHEMBL19423756 0.90 PPID (0.55) PPIDPPIGPPIBPPIA
SCHEMBL19423571 0.90 PPID (0.68) PPIDPPIGPPIBPPIA
SCHEMBL19430000 0.84 PPID (0.62) PPIDPPIGPPIBPPIA
SCHEMBL19429933 0.84 PPID (0.78) PPIDPPIGPPIBPPIA
SCHEMBL19423769 0.83 PPID (0.47) PPIDPPIGPPIB
SCHEMBL19423575 0.83 PPID (0.45) PPIDPPIGPPIB
SCHEMBL19423718 0.83 PPID (0.45) PPIDPPIGPPIB
SCHEMBL19429937 0.83 PPID (0.67) PPIDPPIGPPIBPPIA

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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