SCHEMBL4697189

SCHEMBL4697189

CC=[N+](NC(=N)NCCc1c(C)[nH]c2ccc(OC)cc12)c1c(C)[nH]c2ccc(OC)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.60
MTNR1B P49286 5/20 0.60
MAPT P10636 9/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
HTT P42858 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 3/20 0.53
GAA P10253 3/20 0.53
POLB P06746 2/20 0.53
HTR1D P28221 2/20 0.53
HTR6 P50406 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
ALOX12 P18054 2/20 0.52
ALDH1A1 P00352 3/20 0.51
HTR1A P08908 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1E P28566 1/20 0.48
HTR7 P34969 1/20 0.48
HTR5A P47898 1/20 0.48

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
SCHEMBL4701662 0.81 PABPC1 (0.52) MAPTMEN1KMT2AHTTTDP1
SCHEMBL4700115 0.81 HTR1A (0.45) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL20258596 0.79 MTNR1A (0.67) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL4698600 0.79 GPR84 (0.47) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL4701022 0.76 MTNR1A (0.49) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL4699088 0.75 MTNR1A (0.53) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL8946916 0.75 MTNR1A (1.00) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL31543713 0.75 MTNR1A (1.00) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL6026161 0.74 MTNR1A (0.56) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18222560 0.73 MTNR1A (0.78) MTNR1AMTNR1BMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed