SCHEMBL7478048

SCHEMBL7478048

C=C(c1ccccc1)N(C)C(=O)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.45
PARP14 Q460N5 2/20 0.44
PARP10 Q53GL7 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
LTA4H P09960 1/20 0.43
OPRM1 P35372 1/20 0.42
DRD2 P14416 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
APP P05067 1/20 0.41
CCR5 P51681 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC18A3 Q16572 1/20 0.41

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
SCHEMBL6161142 0.81 SIGMAR1 (0.58) MMP3PARP14PARP10SIGMAR1HRH3
SCHEMBL6163074 0.74 HRH3 (0.47) MMP3PARP14PARP10SIGMAR1DRD2
SCHEMBL6159046 0.73 DRD2 (0.60) MMP3PARP14PARP10SIGMAR1DRD2
SCHEMBL7474955 0.73 ALDH1A1 (0.66) MMP3LTA4HDRD2ALDH1A1LMNA
SCHEMBL6161283 0.72 DRD2 (0.55) MMP3DRD2HRH3ALDH1A1SLC18A3
SCHEMBL12041706 0.72 S1PR1 (0.69) MMP3SIGMAR1DRD2HRH3ALDH1A1
SCHEMBL7477521 0.71 CHRM4 (0.59) MMP3SIGMAR1OPRM1HRH3
SCHEMBL381548 0.71 S1PR1 (0.67) MMP3SIGMAR1DRD2HRH3ALDH1A1
SCHEMBL7477194 0.71 DRD4 (0.59) MMP3DRD2ALDH1A1LMNAGAA
SCHEMBL12041705 0.71 HRH3 (0.55) MMP3SIGMAR1OPRM1DRD2HRH3

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