SCHEMBL4700989

SCHEMBL4700989

C=[N+](NC(=N)NCCCCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTT P42858 1/20 0.43
MMP9 P14780 1/20 0.43
AANAT Q16613 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MTNR1A P48039 1/20 0.42
MC5R P33032 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
SCHEMBL4699819 0.85 KMT2A (0.48) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL4701252 0.83 NPC1 (0.49) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL4699033 0.81 IDO1 (0.45) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL6026754 0.80 IDO1 (0.41) IDO1MEN1KMT2AALDH1A1HTT
SCHEMBL4697802 0.76 MEN1 (0.53) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL20258567 0.74 IDO1 (0.57) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL4698347 0.73 STING1 (0.41) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL13645785 0.73 MTNR1A (0.69) IDO1MEN1KMT2ALMNACYP1A2
SCHEMBL7005718 0.71 HTR2A (0.71) MEN1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL7004146 0.71 HTR2A (0.71) MEN1KMT2ACYP1A2KDM4EALDH1A1

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