SCHEMBL9117585

SCHEMBL9117585

COc1ccc2occ(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 2/20 0.51
DRD2 P14416 2/20 0.51
HSD11B1 P28845 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
SLC18A3 Q16572 4/20 0.47
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL9114665 0.95 DRD2 (0.49) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9115835 0.93 HTR2A (0.50) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9115963 0.93 HTR2A (0.50) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9115981 0.93 HTR2A (0.50) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9116862 0.90 HTR2C (0.57) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9116078 0.87 HTR2A (0.51) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9116972 0.87 DRD2 (0.47) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9115956 0.86 HSD11B1 (0.48) HTR2AHTR2CDRD2HSD11B1ALDH1A1
SCHEMBL9116820 0.86 MAOB (0.51) HTR2AALDH1A1SMN1; SMN2SLC18A3
SCHEMBL9115603 0.84 HTR2A (0.57) HTR2AHTR2CHTR7HTR6CYP1A2

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
WO-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 WO claimed
WO-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 WO disclosed