SCHEMBL8690737

SCHEMBL8690737

NC(CCc1c[nH]c2ccc(O)cc12)C(C1=CC=CCC1)C1=COC=CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.40
HTR1A P08908 5/20 0.40
HTR2A P28223 5/20 0.40
HTR2B P41595 4/20 0.40
CYP2D6 P10635 4/20 0.40
HTR1D P28221 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
HTR1B P28222 2/20 0.40
TSHR P16473 2/20 0.40
HTR7 P34969 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
DRD1 P21728 1/20 0.40
HTR1E P28566 1/20 0.40
HTR1F P30939 1/20 0.40
DRD3 P35462 1/20 0.40
RECQL P46063 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL7817689 0.81 HTR2C (0.39) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL7824590 0.73 MPO (0.41) HTR2CHTR2ATSHRSLC6A4ALDH1A1
SCHEMBL7834306 0.72 HDAC3 (0.33) HTR2CHTR2AHTR2BCYP2D6CYP1A2
SCHEMBL7818121 0.71 MPO (0.45) HTR1ASLC6A4MPO
SCHEMBL8690899 0.70 MPO (0.31) SLC6A4MPO
SCHEMBL7825966 0.70 MPO (0.42) HTR1ASLC6A4MPO
SCHEMBL8690937 0.69 GPR84 (0.32) HTR2CHTR2AHTR2BCYP2D6CYP1A2
SCHEMBL8692253 0.69 MPO (0.31) MPO
SCHEMBL7817703 0.69 HTR2A (0.43) HTR2CHTR1AHTR2AHTR2BCYP2D6
SCHEMBL7824434 0.68 HTR2A (0.44) HTR2CHTR1AHTR2AHTR2BCYP2D6

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-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US claimed