SCHEMBL7147249

SCHEMBL7147249

CCCCOC(=O)N1CC(SCc2ccc(OC)cc2)CC1CCC(=O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KMT2A Q03164 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SLC18A3 Q16572 4/20 0.35
DRD2 P14416 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTRA1 Q92743 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL5411615 1.00 HTR7 (0.37) HTR7RAB9ATDP1HRH2HRH1
SCHEMBL5401313 0.87 RAB9A (0.39) RAB9ATDP1KMT2AMAPTSLC18A3
SCHEMBL5420138 0.84 HTRA1 (0.41) RAB9ATDP1KMT2AMAPTSLC18A3
SCHEMBL5420141 0.84 HTRA1 (0.41) RAB9ATDP1KMT2AMAPTSLC18A3
SCHEMBL5421519 0.84 HTRA1 (0.36) KMT2AALDH1A1CHRM2CHRM1HTRA1
SCHEMBL5401106 0.84 SIGMAR1 (0.39) KMT2AALDH1A1CHRM2CHRM1HTRA1
SCHEMBL5404264 0.80 ECE1 (0.35) HRH2HRH1KMT2AALDH1A1CHRM2
SCHEMBL5398886 0.80 CHRM2 (0.36) KMT2AALDH1A1CHRM2CHRM1HTRA1
SCHEMBL5409681 0.80 RAB9A (0.40) RAB9ATDP1SLC18A3DRD2
SCHEMBL5409672 0.80 RAB9A (0.40) RAB9ATDP1SLC18A3DRD2

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-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO disclosed