SCHEMBL8507874

SCHEMBL8507874

CCC(C)c1ccc2[nH]cc(CCN3CCCC3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 10/20 0.80
▸ HTR1B P28222 9/20 0.80
▸ MPO P05164 3/20 0.62
▸ HTR2A P28223 3/20 0.60
▸ BRD4 O60885 1/20 0.52
▸ HTR6 P50406 2/20 0.50

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
SCHEMBL8507362 0.89 HTR1D (1.00) HTR1DHTR1BMPOHTR2ABRD4
SCHEMBL22643882 0.82 HTR1D (0.58) HTR1DHTR1BMPOHTR2A
SCHEMBL8506249 0.81 HTR1D (0.54) HTR1DHTR1BMPOHTR2A
SCHEMBL27531605 0.81 HTR1D (0.68) HTR1DHTR1BMPOHTR2ABRD4
SCHEMBL8506288 0.80 HTR1D (1.00) HTR1DHTR1BMPOHTR2ABRD4
SCHEMBL8506914 0.79 HTR1D (0.71) HTR1DHTR1BMPOHTR2ABRD4
SCHEMBL8506246 0.77 SLC6A4 (0.62) HTR1DHTR1BHTR6
SCHEMBL2933511 0.77 HTR1A (0.75) HTR1DHTR1BMPOHTR2A
SCHEMBL27095364 0.77 HTR7 (0.71) HTR1DHTR1BMPOHTR2AHTR6
SCHEMBL733997 0.77 MPO (1.00) HTR1DHTR1BMPOHTR2A

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
US-5998462-A SEROTONIN RECEPTOR ANTAGONIST ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-07 — — US disclosed
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