SCHEMBL6976795

SCHEMBL6976795

CCC(C)(Cc1ccc(OC)cc1)NCCN1CCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 4/20 0.43
NPC1 O15118 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
RCE1 Q9Y256 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6974917 0.86 KMT2A (0.43) KMT2ASMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL6984711 0.86 RAB9A (0.42) KMT2ASMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL6175938 0.78 SMN1; SMN2 (0.38) SMN1; SMN2GAAMAPTHSD17B10
SCHEMBL19353009 0.78 KMT2A (0.51) KMT2ASMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL6985419 0.76 KMT2A (0.41) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL6984916 0.76 KMT2A (0.41) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL6982440 0.74 PDK1 (0.41) KMT2ASMN1; SMN2MEN1ALDH1A1L3MBTL1
SCHEMBL16429902 0.73 KMT2A (0.64) KMT2ASMN1; SMN2MEN1ALDH1A1L3MBTL1
SCHEMBL6171559 0.72 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL3459387 0.72 L3MBTL1 (0.64) KMT2ASMN1; SMN2MEN1ALDH1A1L3MBTL1

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