SCHEMBL26989676

SCHEMBL26989676

CC(=O)NCCc1c(Br)[nH]c2c(Br)c(Br)c(OC(C)=O)cc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.58
MTNR1B P49286 14/20 0.58
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NQO2 P16083 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 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
SCHEMBL26989688 0.82 MTNR1A (0.80) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1311579 0.75 MTNR1A (0.70) MTNR1AMTNR1BHSD17B10NQO2CYP1A2
SCHEMBL26989162 0.75 MTNR1A (0.80) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL26989714 0.75 MTNR1A (0.80) MTNR1AMTNR1BHSD17B10NQO2CYP1A2
SCHEMBL4393644 0.73 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10NQO2CYP1A2
SCHEMBL1308979 0.72 MTNR1A (0.66) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL26989677 0.71 MTNR1A (0.58) MTNR1AMTNR1BHSD17B10NQO2CYP1A2
SCHEMBL1308837 0.70 MTNR1A (0.57) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL9667084 0.69 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL31543690 0.68 MTNR1A (0.72) MTNR1AMTNR1BHSD17B10NQO2CYP1A2

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