SCHEMBL7350308

SCHEMBL7350308

CCOC(=O)NC1(C#N)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
OPRM1 P35372 1/20 0.39
CTSL P07711 2/20 0.36
ALDH1A1 P00352 3/20 0.34
CTSC P53634 2/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL19995774 0.79 CTSC (0.38) CTSLCTSCKMT2AKDM4E
SCHEMBL18319504 0.79 ALDH1A1 (0.37) L3MBTL1CTSLALDH1A1
SCHEMBL29056863 0.77 CTSL (0.51) CTSLCTSCKMT2AKDM4EMEN1
SCHEMBL11623122 0.74 KDM4E (0.40) CTSLALDH1A1CTSCKMT2AKDM4E
SCHEMBL18319117 0.74 CTSL (0.43) CTSLALDH1A1KMT2AMEN1TSHR
SCHEMBL1709463 0.73 OPRM1 (0.48) OPRM1ALDH1A1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL1283011 0.72 OPRM1 (0.47) OPRM1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL7820091 0.70 OPRM1 (0.41) OPRM1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL4631734 0.70 OPRM1 (0.62) OPRM1ALDH1A1KDM4EATMLMNA
SCHEMBL27643350 0.70 PDE4A (0.30)

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
EP-0606046-B1 Arylsulfonamido-substituted hydroxamic acids CIBA GEIGY AG (CH) 1997-10-08 EP disclosed
US-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed
US-5646167-A ADMINISTERED AS METALLOPROTEINASE INHIBITOR, ANTITUMOR OR ANTICARCINOGENIC AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5552419-A METALLOPROTEINASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
US-5506242-A METALLOELASTASE INHIBITOR; TREATS EMPHYSEMA CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
US-5455258-A Useful as inhibitors of matrix-degrading metalloproteinase enzymes such as stromelysin and/or collegenase CIBA-GEIGY CORPORATION (US) 1995-10-03 US disclosed
EP-0606046-A1 Arylsulfonamido-substituted hydroxamic acids CIBA-GEIGY AG (CH) 1994-07-13 EP disclosed