SCHEMBL29138501

SCHEMBL29138501

CC(=O)N[C@@H](Cc1c(Cc2ccc3[nH]c4ccccc4c3c2)[nH]c2ccccc12)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
CYP2C9 P11712 1/20 0.50
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
RORC P51449 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL29138503 1.00 MTNR1A (0.50) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL30669505 0.88 KDM4E (0.46) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL29138493 0.86 MTNR1A (0.54) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL29138511 0.84 MTNR1A (0.52) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL29138484 0.84 MTNR1A (0.52) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL29138488 0.79 EGFR (0.47) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL8522940 0.78 EGFR (0.50) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL8711960 0.77 MAPT (0.56) MTNR1AMTNR1BKMT2ACYP3A4TSHR
SCHEMBL29138474 0.77 ALB (0.51) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4
SCHEMBL29138480 0.77 ALB (0.51) MTNR1AMTNR1BKMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069645-A Tryptophan and C2 alkylation modification method for tryptophan-containing polypeptide 兰州大学 2023-11-17 CN disclosed