SCHEMBL30288461

SCHEMBL30288461

CCN(CC)CCc1c(Br)[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.67
HTR2C P28335 10/20 0.67
HTR6 P50406 3/20 0.51
HTR1A P08908 2/20 0.51
DRD2 P14416 9/20 0.50
MPO P05164 1/20 0.44
DRD4 P21917 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL25294011 0.84 HTR6 (0.69) HTR2AHTR2CHTR6HTR1ADRD2
SCHEMBL20970934 0.83 HTR6 (0.71) HTR2AHTR2CHTR6HTR1ADRD2
SCHEMBL29536604 0.83 HTR6 (0.71) HTR2AHTR2CHTR6HTR1ADRD2
Bromide SCHEMBL31253213 0.83 HTR6 (0.67) HTR2AHTR2CHTR6HTR1ADRD2
SCHEMBL30288465 0.81 HTR2A (0.67) HTR2AHTR2CHTR6HTR1ADRD2
SCHEMBL7645002 0.80 HTR2A (1.00) HTR2AHTR2CHTR6DRD2
SCHEMBL30288467 0.80 HTR6 (0.48) HTR2AHTR2CHTR6HTR1ADRD2
SCHEMBL27902947 0.78 HTT (0.51) HTR2AHTR2CHTR6DRD2TSHR
SCHEMBL24243735 0.76 HTR6 (0.66) HTR2AHTR2CHTR6HTR1ADRD2
SCHEMBL14141474 0.75 HTR6 (0.65) HTR2AHTR2CHTR6HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146198-A1 NOVEL COMPOSITIONS OF MATTER AND PHARMACEUTICAL COMPOSITIONS Psilera Inc. (US) 2023-03-15 EP claimed
EP-4146198-A1 NOVEL COMPOSITIONS OF MATTER AND PHARMACEUTICAL COMPOSITIONS Psilera Inc. (US) 2023-03-15 EP disclosed