SCHEMBL4697802

SCHEMBL4697802

CC=[N+](NC(=N)NCCc1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
IDO1 P14902 1/20 0.50
SIRT1 Q96EB6 2/20 0.49
HTR2A P28223 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR1A P08908 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MMP9 P14780 1/20 0.48
AANAT Q16613 1/20 0.48
MTNR1A P48039 1/20 0.47

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
SCHEMBL4699033 0.81 IDO1 (0.45) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL4700165 0.76 MEN1 (0.45) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL4700989 0.76 IDO1 (0.48) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL20258564 0.73 MEN1 (0.59) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL13645785 0.73 MTNR1A (0.69) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL2799585 0.73 MEN1 (0.65) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL4701252 0.71 NPC1 (0.49) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL4699819 0.71 KMT2A (0.48) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL5841251 0.70 MEN1 (0.74) MEN1KMT2ALMNACYP1A2PKM
Nb-Acetyltryptamine SCHEMBL468850 0.70 MEN1 (1.00) MEN1KMT2ALMNACYP1A2PKM

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