SCHEMBL14355993

SCHEMBL14355993

CC(=O)N(Cc1ccccc1)Cc1ccccc1N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.47
HTR1A P08908 4/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HTR2A P28223 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2C P28335 1/20 0.45
DRD3 P35462 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KMT2A Q03164 1/20 0.43
MLNR O43193 1/20 0.43
ADRB1 P08588 2/20 0.42
HTR7 P34969 1/20 0.40
HTR5A P47898 1/20 0.40

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
SCHEMBL14355991 0.87 HTR1A (0.50) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14355990 0.82 HTR1A (0.49) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5335774 0.79 ACHE (0.47) CHRM2CHRM4CHRM1CHRM3
SCHEMBL14355996 0.79 HTR1A (0.46) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8447358 0.78 HTR6 (0.47) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14355988 0.78 HTR1A (0.47) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6222309 0.76 HTR1A (0.54) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4520348 0.75 HTR1A (0.55) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL31561598 0.74 HTR1A (0.73) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL335802 0.74 HTR1A (0.73) HTR6HTR1ASLC6A2SLC6A4SLC6A3

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
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed