SCHEMBL9114829

SCHEMBL9114829

COc1ccc2oc(C)c(CCCN3CCC(C(=O)c4ccc(F)cc4)CC3)c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
HTR2A P28223 3/20 0.49
HTR2C P28335 2/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HSD11B1 P28845 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
HTT P42858 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
SCHEMBL9117438 0.97 HTR2A (0.51) DRD2HTR2AHTR2CKDM4ECYP1A2
SCHEMBL9118402 0.89 HTR2A (0.49) DRD2HTR2AHTR2CKDM4ECYP1A2
SCHEMBL9114665 0.85 DRD2 (0.49) DRD2HTR2AHTR2CKDM4ECYP1A2
SCHEMBL9115963 0.82 HTR2A (0.50) DRD2HTR2AHTR2CKDM4ECYP1A2
SCHEMBL9115835 0.82 HTR2A (0.50) DRD2HTR2AHTR2CKDM4ECYP1A2
SCHEMBL9115981 0.82 HTR2A (0.50) DRD2HTR2AHTR2CKDM4ECYP1A2
SCHEMBL9117585 0.81 HTR2A (0.51) DRD2HTR2AHTR2CCYP1A2HSD11B1
SCHEMBL11617634 0.78 HTR2A (0.49) DRD2HTR2AHTR2CKDM4ECYP1A2
Hydrochloric Acid SCHEMBL11614743 0.78 HTR2A (0.49) DRD2HTR2AHTR2CKDM4ECYP1A2
SCHEMBL9116972 0.77 DRD2 (0.47) DRD2HTR2AHTR2CKDM4ECYP1A2

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