Sugi Predict

Sugi Predict / Compounds / SCHEMBL8225355

SCHEMBL8225355

SCHEMBL8225355

CCCC(F)(F)C[C@H](NC(=O)N1CC2(CCN(C3CC3)CC2)C1)C(=O)NC1(N)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 17/20 0.67
▸ CTSS P25774 17/20 0.67
▸ CTSK P43235 17/20 0.67
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL8229166 0.94 CTSB (0.76) CTSBCTSSCTSKCYP1A2
SCHEMBL8225937 0.93 CTSB (0.67) CTSBCTSSCTSKCYP1A2
SCHEMBL346308 0.86 CTSS (0.88) CTSBCTSSCTSK
SCHEMBL8224558 0.84 CTSB (0.73) CTSBCTSSCTSKCYP1A2
SCHEMBL8218593 0.84 CTSB (0.70) CTSBCTSSCTSKHRH3
SCHEMBL11917607 0.83 CTSB (0.60) CTSBCTSSCTSK
SCHEMBL8223397 0.82 CTSB (0.66) CTSBCTSSCTSKUSP2CYP1A2
SCHEMBL8225932 0.81 CTSB (0.65) CTSBCTSSCTSK
SCHEMBL346490 0.80 CTSS (1.00) CTSBCTSSCTSK
SCHEMBL346411 0.79 CTSS (0.92) CTSBCTSSCTSK

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-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 — — EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 — — WO disclosed