SCHEMBL6984357

SCHEMBL6984357

COc1ccc(C(C)CN(CCN2CCCCC2=O)CC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 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
SCHEMBL6986746 0.90 SMN1; SMN2 (0.41) ALDH1A1HTTSMN1; SMN2POLBMTNR1A
SCHEMBL6980148 0.83 SMN1; SMN2 (0.43) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL6981458 0.83 SMN1; SMN2 (0.43) ALDH1A1HTTSMN1; SMN2POLBKMT2A
SCHEMBL6986741 0.82 MTNR1A (0.44) ALDH1A1SMN1; SMN2MTNR1AMTNR1BKMT2A
SCHEMBL4871432 0.78 SMN1; SMN2 (0.41) ALDH1A1HTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL7135238 0.78 ADRA1B (0.44) ALDH1A1KMT2AMEN1RECQL
SCHEMBL6986641 0.77 EPHX2 (0.38) ALDH1A1L3MBTL1
SCHEMBL4875458 0.72 CYP3A4 (0.43) ALDH1A1SMN1; SMN2MTNR1AMTNR1BL3MBTL1
SCHEMBL4875572 0.72 CYP3A4 (0.43) ALDH1A1SMN1; SMN2MTNR1AMTNR1BL3MBTL1
SCHEMBL6985464 0.72 LMNA (0.36) ALDH1A1HTTSMN1; SMN2POLBL3MBTL1

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