SCHEMBL26989677

SCHEMBL26989677

CC(=O)NCCc1c(Br)[nH]c2cc(Br)c(OC(C)=O)c(Br)c12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.58
MTNR1B P49286 14/20 0.58
NQO2 P16083 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MDM2 Q00987 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1310030 0.89 MTNR1A (0.66) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL26989162 0.80 MTNR1A (0.80) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL26989688 0.78 MTNR1A (0.80) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1309784 0.76 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C19
SCHEMBL1311781 0.75 KDM4E (0.49) MTNR1AMTNR1BCYP1A2CYP3A4CYP2D6
SCHEMBL1309348 0.74 MTNR1A (1.00) MTNR1AMTNR1BNQO2HSD17B10
SCHEMBL1309768 0.74 MTNR1A (0.57) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1310044 0.73 MTNR1A (0.47) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL1311250 0.73 MTNR1A (0.47) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL26989714 0.73 MTNR1A (0.80) MTNR1AMTNR1BNQO2CYP1A2CYP3A4

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
WO-2024008341-A1 SEROTONIN ANALOGUES FOR USE IN TREATING METALLOPTOSIS-ASSOCIATED DISORDERS INSTITUT CURIE (FR) 2024-01-11 WO disclosed