SCHEMBL26989142

SCHEMBL26989142

C#CCNCCc1c[nH]c2ccc(C)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
HTR2A P28223 5/20 0.58
HTR1D P28221 3/20 0.58
GFER P55789 1/20 0.53
HTR1A P08908 2/20 0.53
HTR7 P34969 2/20 0.53
HTR6 P50406 2/20 0.53
MPO P05164 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
ADRA2A P08913 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2C P28335 1/20 0.49
HTR1E P28566 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL29206374 0.85 MPO (0.73) MTNR1AMTNR1BHTR2AHTR1AMPO
SCHEMBL25057132 0.85 HTR2C (0.68) HTR2AHTR1DHTR1AHTR7HTR6
SCHEMBL26989205 0.81 HTR2A (0.70) HTR2AHTR1AGAAALDH1A1
SCHEMBL4303662 0.81 KDM4E (0.70) MTNR1AMTNR1BHTR2AHTR1DGFER
SCHEMBL5149801 0.80 MTNR1A (0.70) MTNR1AMTNR1BHTR2AHTR1DGFER
SCHEMBL20648032 0.78 MPO (0.67) MTNR1AMTNR1BHTR2AHTR1DHTR1A
SCHEMBL1976170 0.78 MTNR1A (0.61) MTNR1AMTNR1BHTR2AHTR1DGFER
SCHEMBL9559256 0.78 MTNR1A (0.68) MTNR1AMTNR1BHTR2AHTR1DGFER
SCHEMBL26664111 0.77 MTNR1A (0.63) MTNR1AMTNR1BHTR2AHTR1DGFER
SCHEMBL26989666 0.76 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR1DHTR1A

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