SCHEMBL6253602

SCHEMBL6253602

O=C1CCCN1Cc1ccccc1N1CC[N]CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 5/20 0.47
ADRA1A P35348 4/20 0.47
ADRA1D P25100 3/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL6253311 0.96 L3MBTL1 (0.51) ADRA1BADRA1AADRA1DL3MBTL1
SCHEMBL6252228 0.95 L3MBTL1 (0.54) ADRA1AADRA1DL3MBTL1
SCHEMBL14458720 0.86 ADRA1B (0.49) ADRA1BADRA1AADRA1DL3MBTL1
SCHEMBL5561359 0.83 HTR1A (0.48) ADRA1BADRA1AADRA1DL3MBTL1
SCHEMBL14458725 0.83 ADRA1B (0.47) ADRA1BADRA1AADRA1DL3MBTL1
SCHEMBL6111104 0.80 L3MBTL1 (0.51) ADRA1AADRA1DL3MBTL1
SCHEMBL6249596 0.78 L3MBTL1 (0.54) ADRA1AADRA1DL3MBTL1
SCHEMBL14458690 0.78 ADRA1A (0.43) ADRA1BADRA1AADRA1DL3MBTL1
SCHEMBL6252010 0.76 L3MBTL1 (0.43) ADRA1BL3MBTL1
SCHEMBL14585899 0.74 PLA2G7 (0.46) ADRA1BADRA1AADRA1D

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