SCHEMBL6986641

SCHEMBL6986641

CCCN(CCN1CCCCC1=O)CC(C)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
ADAMTS5 Q9UNA0 3/20 0.37
WDR91 A4D1P6 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP51A1 Q16850 1/20 0.35
ADRB2 P07550 1/20 0.34
CXCR3 P49682 3/20 0.34
ACHE P22303 1/20 0.34
ACACB O00763 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL7135238 0.81 ADRA1B (0.44) ACHEALDH1A1
SCHEMBL6986741 0.81 MTNR1A (0.44) ALDH1A1TSHRNPSR1
SCHEMBL6983790 0.79 KMT2A (0.39) L3MBTL1ALDH1A1
SCHEMBL6986746 0.78 SMN1; SMN2 (0.41) L3MBTL1ALDH1A1
SCHEMBL6983282 0.78 LMNA (0.45) L3MBTL1TSHR
SCHEMBL6984357 0.77 ALDH1A1 (0.43) L3MBTL1ALDH1A1
SCHEMBL4875116 0.76 ADAMTS5 (0.43) EPHX2ADAMTS5WDR91SIGMAR1GAA
SCHEMBL6982527 0.75 NPC1 (0.41) GAAALDH1A1
SCHEMBL6985492 0.74 POLB (0.38) L3MBTL1ALDH1A1
SCHEMBL6985464 0.74 LMNA (0.36) ADAMTS5L3MBTL1ALDH1A1

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-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed