SCHEMBL9751553

SCHEMBL9751553

COc1ccc(Cc2[nH]c3ccccc3c2CCNC(C)=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.79
MTNR1B P49286 17/20 0.79
CYP1A2 P05177 3/20 0.79
CYP3A4 P08684 3/20 0.79
HPGD P15428 3/20 0.79
CYP2C19 P33261 3/20 0.79
CYP2C9 P11712 2/20 0.79
TSHR P16473 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
ALDH1A1 P00352 2/20 0.58
CYP2D6 P10635 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 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
SCHEMBL9401128 0.89 MTNR1A (0.64) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL29138500 0.89 MTNR1A (0.88) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL30669508 0.89 MTNR1A (0.88) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
Luzindole SCHEMBL4869000 0.88 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL9401161 0.87 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL29138489 0.87 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL9304037 0.87 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL7692306 0.80 KDM4E (0.56) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
Luzindole SCHEMBL9118261 0.80 MEN1 (0.81) MTNR1AMTNR1BCYP1A2CYP3A4HPGD
SCHEMBL29138511 0.79 MTNR1A (0.52) MTNR1AMTNR1BCYP1A2CYP3A4HPGD

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 4 patents. 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
EP-0375726-A4 MELATONIN ANALOGUES 1991-01-30 EP disclosed
EP-0375726-A1 MELATONIN ANALOGUES Whitby Research Incorporated (US) 1990-07-04 EP disclosed
WO-1989001472-A1 MELATONIN ANALOGUES NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-02-23 WO disclosed