SCHEMBL6982527

SCHEMBL6982527

CCCN(CCCCN1CCCCC1=O)CC(C)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADRA1B P35368 4/20 0.39
ADRA1A P35348 1/20 0.39
PER2 O15055 2/20 0.35
CRY2 Q49AN0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
GRM5 P41594 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6983872 0.88 MC4R (0.42) RAB9AADRA1BGAAKMT2A
SCHEMBL6985684 0.79 ADRA1B (0.47) ADRA1BADRA1A
SCHEMBL6983282 0.79 LMNA (0.45) NPC1RAB9AADRA1BADRA1AMEN1
SCHEMBL6987894 0.79 ADRA1B (0.37) ADRA1BALDH1A1KMT2A
SCHEMBL6983790 0.78 KMT2A (0.39) ADRA1BADRA1AALDH1A1MALT1MEN1
SCHEMBL6983291 0.78 ADRA1B (0.32) ADRA1BADRA1AMALT1SMN1; SMN2
SCHEMBL6979847 0.78 ADRA1B (0.41) ADRA1BALDH1A1KMT2A
SCHEMBL6985492 0.78 POLB (0.38) ADRA1BADRA1AALDH1A1KMT2A
SCHEMBL4871569 0.78 RAB9A (0.41) NPC1RAB9AADRA1BADRA1APER2
SCHEMBL6977704 0.76 HTR7 (0.40) RAB9AADRA1BGAA

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