SCHEMBL7970577

SCHEMBL7970577

O=C(CCc1c[nH]c2ccccc12)NCCN(CCNC(=O)CCc1c[nH]c2ccccc12)CCNC(=O)CCc1c[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
GFER P55789 1/20 0.68
AANAT Q16613 1/20 0.66
MAPT P10636 2/20 0.65
ALDH1A1 P00352 1/20 0.65
GAA P10253 1/20 0.65
MTNR1A P48039 2/20 0.64
POLB P06746 1/20 0.60
HPGD P15428 2/20 0.60
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
BLM P54132 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
MMP9 P14780 1/20 0.55

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
SCHEMBL7677886 0.89 MEN1 (0.84) MEN1KMT2AGFERAANATMAPT
SCHEMBL7973988 0.86 MEN1 (0.71) MEN1KMT2AGFERAANATMAPT
SCHEMBL7974113 0.86 LMNA (0.62) MEN1KMT2AAANATMAPTALDH1A1
SCHEMBL27099044 0.85 MTNR1A (0.77) MEN1KMT2AGFERAANATMAPT
SCHEMBL22183475 0.84 MEN1 (0.68) MEN1KMT2AGFERAANATMAPT
SCHEMBL7852879 0.84 GFER (0.84) MEN1KMT2AGFERAANATMAPT
SCHEMBL7849865 0.83 MEN1 (0.74) MEN1KMT2AGFERAANATMAPT
SCHEMBL4536522 0.83 AANAT (0.80) MEN1KMT2AGFERAANATALDH1A1
SCHEMBL13973308 0.82 MAPT (0.74) MEN1KMT2AGFERAANATMAPT
Acetic Acid SCHEMBL7972183 0.82 MAPT (0.66) MEN1KMT2AGFERAANATMAPT

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