SCHEMBL4698600

SCHEMBL4698600

CC=[N+](NC(=N)NCc1c[nH]c2ccccc12)c1c(C)[nH]c2ccc(OC)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.47
AHR P35869 2/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FAAH O00519 2/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 2/20 0.40
HTR1A P08908 1/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
HTR2B P41595 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HTR2A P28223 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL4700115 0.89 HTR1A (0.45) GPR84KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4697189 0.79 MTNR1A (0.60) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4701022 0.71 MTNR1A (0.49) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4699088 0.71 MTNR1A (0.53) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4701662 0.70 PABPC1 (0.52) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4700165 0.67 MEN1 (0.45) KMT2AMEN1KDM4EALDH1A1MTNR1A
SCHEMBL4697802 0.67 MEN1 (0.53) KMT2AMEN1KDM4EALDH1A1MTNR1A
SCHEMBL797333 0.66 HTR2A (0.78) GPR84KMT2AHTR1AHTR2A
SCHEMBL11182873 0.64 GPR84 (0.59) GPR84KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4699819 0.64 KMT2A (0.48) GPR84AHRKMT2AMEN1KDM4E

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