SCHEMBL4700115

SCHEMBL4700115

CC=[N+](NC(=N)NCCCCc1c[nH]c2ccccc12)c1c(C)[nH]c2ccc(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
FAAH O00519 2/20 0.44
GPR84 Q9NQS5 1/20 0.43
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
MTNR1A P48039 4/20 0.42
TRPV1 Q8NER1 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1B P49286 3/20 0.42
KDM4E B2RXH2 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
SCHEMBL4698600 0.89 GPR84 (0.47) HTR1AHTR2AFAAHGPR84CDK4
SCHEMBL4697189 0.81 MTNR1A (0.60) HTR1AMTNR1AMEN1KMT2AMAPT
SCHEMBL4701662 0.73 PABPC1 (0.52) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL4701022 0.73 MTNR1A (0.49) HTR2AMTNR1AMEN1KMT2AMAPT
SCHEMBL4699088 0.73 MTNR1A (0.53) MTNR1AMEN1KMT2AMAPTPOLB
SCHEMBL4697802 0.71 MEN1 (0.53) HTR1AHTR2AMTNR1AMEN1KMT2A
SCHEMBL4699033 0.70 IDO1 (0.45) HTR1AHTR2AMTNR1AMEN1KMT2A
SCHEMBL4700117 0.70 HTR1A (0.53) HTR1AHTR2AGPR84MTNR1ARAB9A
SCHEMBL7976809 0.69 MTNR1A (0.58) MTNR1AMEN1KMT2AMAPTMTNR1B
SCHEMBL4700989 0.68 IDO1 (0.48) HTR1AHTR2AMTNR1AMEN1KMT2A

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