SCHEMBL7970552

SCHEMBL7970552

c1ccc2c(CCNCCNCCNCCc3c[nH]c4ccccc34)c[nH]c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.81
MC3R P41968 2/20 0.81
MC1R Q01726 2/20 0.81
G6PD P11413 1/20 0.79
HTR2A P28223 4/20 0.78
ALDH1A1 P00352 2/20 0.72
HTR1A P08908 2/20 0.72
KDM4E B2RXH2 1/20 0.72
HTT P42858 1/20 0.72
BCHE P06276 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
HTR6 P50406 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
HTR7 P34969 2/20 0.62
MPO P05164 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2A6 P11509 1/20 0.62
NFKB1 P19838 1/20 0.62
HTR1D P28221 1/20 0.62

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
SCHEMBL17232881 0.98 MC5R (0.83) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL6165432 0.90 MC5R (0.71) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL12978083 0.90 MC1R (0.71) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL13255375 0.90 MC5R (0.71) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL14960999 0.90 HTR2A (0.79) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL25029618 0.90 MC5R (0.71) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL4017867 0.90 MC5R (0.71) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL798249 0.89 MC1R (1.00) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL20689754 0.89 G6PD (0.83) MC5RMC3RMC1RG6PDHTR2A
Hydrochloric Acid SCHEMBL3593245 0.89 MC5R (0.69) MC5RMC3RMC1RG6PDHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO claimed
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO disclosed