SCHEMBL25418921

SCHEMBL25418921

CCCn1cc(CCNC)c2cc(OC)ccc21

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.70
HDAC3 O15379 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
MTNR1A P48039 4/20 0.52
MTNR1B P49286 4/20 0.52
NQO2 P16083 1/20 0.52
ADRB2 P07550 3/20 0.50
HTR2A P28223 1/20 0.49
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
CNR2 P34972 1/20 0.43

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
SCHEMBL10119795 0.90 HTR6 (0.56) HTR6HDAC3HDAC6MTNR1AMTNR1B
SCHEMBL24878072 0.86 HTR6 (0.57) HTR6HDAC3HDAC6MTNR1AMTNR1B
SCHEMBL19650681 0.78 HTR6 (0.52) HTR6CNR2
SCHEMBL25028279 0.78 HTR6 (0.67) HTR6HDAC3HDAC6MTNR1AMTNR1B
SCHEMBL11624314 0.77 HTR6 (0.62) HTR6HDAC3HDAC6MTNR1AMTNR1B
SCHEMBL8271864 0.77 HTR6 (0.62) HTR6HDAC3HDAC6MTNR1AMTNR1B
SCHEMBL12613820 0.76 HTR6 (0.61) HTR6ADRB2CNR2
SCHEMBL17943653 0.76 HTR6 (0.61) HTR6HDAC3HDAC6MTNR1AMTNR1B
SCHEMBL12352575 0.76 MTNR1A (0.69) HTR6HDAC3HDAC6MTNR1AMTNR1B
SCHEMBL8717495 0.75 HTR6 (0.62) HTR6HDAC3HDAC6MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313030-A1 METHODS AND COMPOSITIONS RELATING TO PSYCHEDELICS AND SEROTONIN RECEPTOR MODULATORS Terran Biosciences, Inc. (US) 2024-02-07 EP claimed
WO-2024006984-A1 METHODS AND COMPOSITIONS RELATING TO CONTROLLING PSYCHEDELIC EFFECTS WITH SEROTONIN RECEPTOR MODULATORS TERRAN BIOSCIENCES INC. (US) 2024-01-04 WO claimed
WO-2023081892-A1 ANALOGS OF N,N,N-TRIMETHYL-4-PHOSPHORYLOXYTRYPTAMINE TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed