SCHEMBL6978015

SCHEMBL6978015

CCN(CCCCN1CCCCC1=O)CC(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
ADRA1B P35368 3/20 0.38
ADRA1A P35348 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ACHE P22303 4/20 0.34
BCHE P06276 3/20 0.34
RAB9A P51151 2/20 0.34
MC4R P32245 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
SCHEMBL6985684 0.87 ADRA1B (0.47) ADRA1BADRA1ASIGMAR1ACHEBCHE
SCHEMBL6981458 0.85 SMN1; SMN2 (0.43) MEN1KMT2ANPC1ADRA1BSMN1; SMN2
SCHEMBL6980148 0.85 SMN1; SMN2 (0.43) MEN1KMT2ANPC1ADRA1BSMN1; SMN2
SCHEMBL6985013 0.84 KMT2A (0.39) MEN1KMT2AADRA1BADRA1AALDH1A1
SCHEMBL6987065 0.84 POLB (0.39) KMT2AADRA1BADRA1AALDH1A1ACHE
SCHEMBL6987748 0.83 KCNH2 (0.41) ADRA1BADRA1ASIGMAR1
SCHEMBL6977033 0.83 KMT2A (0.38) MEN1KMT2AADRA1BADRA1AALDH1A1
SCHEMBL6981559 0.82 ADRA1B (0.41) KMT2AADRA1BACHEBCHE
SCHEMBL6979427 0.82 CYP2C19 (0.39) MEN1KMT2AADRA1BADRA1ASMN1; SMN2
SCHEMBL6986602 0.80 KDM4E (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1

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