SCHEMBL4701022

SCHEMBL4701022

CCCC=[N+](NC(=N)NCCc1c(C)[nH]c2ccc(OC)cc12)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
MAPT P10636 8/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
ALOX12 P18054 2/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
TDP1 Q9NUW8 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4699088 0.86 MTNR1A (0.53) MTNR1AMTNR1BMAPTSMN1; SMN2HTT
SCHEMBL4697189 0.76 MTNR1A (0.60) MTNR1AMTNR1BMAPTSMN1; SMN2HTT
SCHEMBL4699033 0.75 IDO1 (0.45) MTNR1ASMN1; SMN2HTTLMNAALOX12
SCHEMBL4700165 0.73 MEN1 (0.45) MTNR1AMAPTHTTLMNAMEN1
SCHEMBL6026161 0.73 MTNR1A (0.56) MTNR1AMTNR1BMAPTSMN1; SMN2HTT
SCHEMBL4700115 0.73 HTR1A (0.45) MTNR1AMTNR1BMAPTSMN1; SMN2LMNA
SCHEMBL20258596 0.71 MTNR1A (0.67) MTNR1AMTNR1BMAPTSMN1; SMN2HTT
SCHEMBL4698600 0.71 GPR84 (0.47) MTNR1AMTNR1BMAPTSMN1; SMN2LMNA
SCHEMBL18222560 0.68 MTNR1A (0.78) MTNR1AMTNR1BMAPTSMN1; SMN2HTT
SCHEMBL8946916 0.68 MTNR1A (1.00) MTNR1AMTNR1BMAPTHTTMEN1

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