SCHEMBL6249596

SCHEMBL6249596

O=C1CCCCCN1Cc1ccccc1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ACHE P22303 3/20 0.53
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL6111104 0.99 L3MBTL1 (0.51) L3MBTL1ACHEHTR1ASLC6A2SLC6A4
SCHEMBL5561359 0.95 HTR1A (0.48) L3MBTL1ACHEHTR1ASLC6A2SLC6A4
SCHEMBL6252228 0.84 L3MBTL1 (0.54) L3MBTL1ACHEADRA1DADRA1A
SCHEMBL6253311 0.83 L3MBTL1 (0.51) L3MBTL1ACHEADRA1DADRA1A
SCHEMBL14585900 0.82 ADRA1B (0.51) HTR1ASLC6A2SLC6A4SLC6A3ADRA1D
SCHEMBL14458720 0.81 ADRA1B (0.49) L3MBTL1ADRA1DADRA1A
SCHEMBL6111320 0.79 HTR1A (0.46) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14355968 0.79 HTR1A (0.54) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6253602 0.78 ADRA1B (0.47) L3MBTL1ADRA1DADRA1A
SCHEMBL14458725 0.78 ADRA1B (0.47) L3MBTL1ADRA1DADRA1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005054278-A1 SUBSTITUTED N-BENZYL-LACTAM DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-16 WO disclosed