SCHEMBL6670052

SCHEMBL6670052

CS(=O)(=O)OCCCC1Cc2ccccc2C12CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
KDM1A O60341 6/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.32
HTR2A P28223 2/20 0.30
DRD2 P14416 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL6669198 0.77 SIGMAR1 (0.38) SIGMAR1KDM1AHTR2ADRD2SLC6A2
SCHEMBL29807033 0.76 GRIN2B (0.31) KDM4EALDH1A1MEN1
SCHEMBL30666843 0.76 GRIN2B (0.31) KDM4EALDH1A1MEN1
SCHEMBL8845622 0.73 SIGMAR1 (0.47) SIGMAR1KDM1AALOX15TSHRMEN1
SCHEMBL6672827 0.72 OPRM1 (0.43) SIGMAR1
Hydrochloric Acid SCHEMBL6669828 0.72 HTR2A (0.36) SIGMAR1KDM1ALMNAHTR2ADRD2
Hydrochloric Acid SCHEMBL6668923 0.71 HTR2A (0.35) SIGMAR1KDM1AHTR2ADRD2SLC6A2
SCHEMBL6670168 0.70 DRD2 (0.38) SIGMAR1DRD2
SCHEMBL9722210 0.68 MTNR1A (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL11845112 0.65 HTR2A (0.44) KDM4EUSP2ALDH1A1LMNAMMP9

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-1399432-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-03-24 EP disclosed
WO-2003000677-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER PHARMACEUTICALS INC. (JP) 2003-01-03 WO disclosed