SCHEMBL6986602

SCHEMBL6986602

CCN(CCCCN1CCCCCC1=O)CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6986401 0.91 TSHR (0.48) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6985013 0.88 KMT2A (0.39) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6987065 0.88 POLB (0.39) KDM4EALDH1A1KMT2AL3MBTL1POLB
SCHEMBL6977033 0.87 KMT2A (0.38) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6981559 0.86 ADRA1B (0.41) KMT2AL3MBTL1POLBTDP1
SCHEMBL6979427 0.85 CYP2C19 (0.39) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6985684 0.84 ADRA1B (0.47) L3MBTL1
SCHEMBL6981934 0.82 KDM4E (0.35) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6985829 0.82 POLB (0.37) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6987748 0.81 KCNH2 (0.41)

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