SCHEMBL8314934

SCHEMBL8314934

COc1ccc2[nH]c(=O)cc(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.52
HTR2C P28335 6/20 0.52
HTR7 P34969 4/20 0.52
HTR6 P50406 4/20 0.52
DRD2 P14416 3/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 2/20 0.50
HTR1A P08908 2/20 0.50
HPGD P15428 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 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
SCHEMBL8318974 0.82 HTR2A (0.53) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9117585 0.80 HTR2A (0.51) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL8309219 0.79 HTR1A (0.65) HTR2AHTR1AADRA2BADRA2CSLC6A4
SCHEMBL11617634 0.77 HTR2A (0.49) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL11009545 0.77 HTR2A (0.72) HTR2AHTR2CHTR7HTR6DRD2
Hydrochloric Acid SCHEMBL11614743 0.76 HTR2A (0.49) HTR2AHTR2CHTR7HTR6DRD2
Hydrochloric Acid SCHEMBL8916858 0.75 HSD11B1 (0.49) HTR2AHTR2CDRD2ALDH1A1LMNA
SCHEMBL9114665 0.75 DRD2 (0.49) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9115981 0.74 HTR2A (0.50) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9115963 0.74 HTR2A (0.50) HTR2AHTR2CHTR7HTR6DRD2

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-0850235-B1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SANOFI SYNTHELABO (FR) 1999-12-01 EP claimed
EP-0850235-B1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SANOFI SYNTHELABO (FR) 1999-12-01 EP disclosed