SCHEMBL19423714

SCHEMBL19423714

CC[C@H]1OCCNc2ccc(CNC(=O)NCC(=O)N3CCCC3c3ccccc3C(F)(F)F)cc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 17/20 0.56
▸ PPIG Q13427 6/20 0.46
▸ PPIB P23284 4/20 0.46
▸ RBP4 P02753 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34

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
SCHEMBL19429783 0.88 PPID (0.57) PPIDPPIGPPIBHCRTR2
SCHEMBL19430170 0.88 PPID (0.74) PPIDPPIGPPIB
SCHEMBL19423782 0.83 PPID (0.48) PPIDPPIGPPIB
SCHEMBL19410065 0.80 PPID (0.79) PPIDPPIGPPIBHCRTR2
SCHEMBL19430173 0.80 PPID (0.48) PPIDPPIGPPIB
SCHEMBL19423565 0.80 PPID (0.48) PPIDPPIGPPIB
SCHEMBL19421500 0.79 PPID (0.77) PPIDPPIGPPIB
SCHEMBL19410027 0.79 PPID (0.77) PPIDPPIGPPIB
SCHEMBL19421450 0.79 PPID (0.77) PPIDPPIGPPIB
SCHEMBL19421457 0.79 PPID (0.77) 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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