SCHEMBL7470302

SCHEMBL7470302

CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
DRD2 P14416 5/20 0.52
DRD4 P21917 4/20 0.52
DRD3 P35462 3/20 0.52
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MMP3 P08254 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 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
SCHEMBL7477194 0.86 DRD4 (0.59) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7474955 0.82 ALDH1A1 (0.66) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL7464080 0.81 DRD4 (0.55) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL9843921 0.80 KMT2A (0.53) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL9843914 0.76 KMT2A (0.51) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL7470932 0.75 HRH3 (0.49) DRD2DRD4MMP3MAPT
SCHEMBL6161142 0.74 SIGMAR1 (0.58) KMT2ALMNAGAAMMP3ALDH1A1
SCHEMBL7475866 0.74 MMP3 (0.51) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL27477245 0.73 SLC18A3 (0.57) DRD2MMP3
SCHEMBL4010002 0.72 DRD4 (0.75) MEN1KMT2ATDP1DRD2DRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757986-B1 Arylpiperidine and arylpiperazine derivatives and drugs containing the same SUNTORY LTD (JP) 2002-06-12 EP disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 US disclosed
EP-0757986-A1 ARYLPIPERIDINE AND ARYLPIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-12 EP disclosed