SCHEMBL7976825

SCHEMBL7976825

O=C(Cc1c[nH]c2ccccc12)NCCNC(=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
GAA P10253 1/20 0.71
LMNA P02545 3/20 0.70
ALDH1A1 P00352 2/20 0.67
AANAT Q16613 1/20 0.65
MAPT P10636 2/20 0.64
PKM P14618 2/20 0.64
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
KDM4E B2RXH2 1/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.61
CYP1A2 P05177 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
BLM P54132 1/20 0.60
MTNR1A P48039 1/20 0.59
SLC6A2 P23975 1/20 0.59
FNTA P49354 1/20 0.59
FNTB P49356 1/20 0.59

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
SCHEMBL7972279 0.95 SMN1; SMN2 (0.66) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL1849735 0.92 LMNA (0.65) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL10069200 0.92 AANAT (0.77) LMNAALDH1A1AANATPKMKMT2A
SCHEMBL10272692 0.91 MTNR1A (0.64) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7972207 0.91 LMNA (0.67) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7973953 0.90 GAA (0.60) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7974113 0.90 LMNA (0.62) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7973858 0.90 LMNA (0.62) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL6029594 0.90 LMNA (0.62) SMN1; SMN2GAALMNAALDH1A1AANAT
SCHEMBL7970603 0.89 LMNA (0.61) SMN1; SMN2GAALMNAALDH1A1AANAT

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