SCHEMBL2397321

SCHEMBL2397321

FC(F)(F)C(NC(c1ccccc1)C(F)(F)F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.44
TACR3 P29371 1/20 0.39
LMNA P02545 1/20 0.38
CTSB P07858 1/20 0.38
DPP4 P27487 2/20 0.38
TSHR P16473 2/20 0.38
F2 P00734 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL22016792 0.86 CTSL (0.47) CTSLCTSSCTSKCTSBTSHR
SCHEMBL14268037 0.86 CTSL (0.47) CTSLCTSSCTSKCTSBTSHR
SCHEMBL22016896 0.86 CTSL (0.47) CTSLCTSSCTSKCTSBTSHR
SCHEMBL14450112 0.85 TSHR (0.40) CTSLCTSSCTSKTACR3LMNA
SCHEMBL1421212 0.85 OPRK1 (0.45) CTSLCTSSCTSKTACR3LMNA
SCHEMBL12797626 0.85 OPRK1 (0.45) CTSLCTSSCTSKTACR3LMNA
SCHEMBL1456364 0.84 SIGMAR1 (0.48) CTSLCTSSCTSKLMNA
SCHEMBL8869767 0.84 SIGMAR1 (0.48) CTSLCTSSCTSKLMNA
SCHEMBL24170304 0.83 CTSL (0.38) CTSLCTSSCTSKTACR3LMNA
SCHEMBL10831305 0.83 AOC3 (0.42) CTSLCTSSCTSKTACR3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026218-B2 Bifunctional analgesic compounds for opioid receptor agonists and neurokinin-1 receptor antagonists THE UNIVERSITY OF ARIZONA (US) 2011-09-27 US claimed
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed
US-8026218-B2 Bifunctional analgesic compounds for opioid receptor agonists and neurokinin-1 receptor antagonists THE UNIVERSITY OF ARIZONA (US) 2011-09-27 US disclosed
US-20080039404-A1 BIFUNCTIONAL ANALGESIC COMPOUNDS FOR OPIOID RECEPTOR AGONISTS AND NEUROKININ-1 RECEPTOR ANTAGONISTS UNIVERSITY OF ARIZONA (US) 2008-02-14 US disclosed
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP disclosed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO disclosed