SCHEMBL4591571

SCHEMBL4591571

CCOc1cc(CC=O)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
XBP1 P17861 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
TACR2 P21452 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL14143944 0.87 CSNK2A1 (0.50) LMNAALDH1A1HTTMAPTXBP1
SCHEMBL8431075 0.86 LMNA (0.49) LMNAALDH1A1MAPTPOLBHPGD
SCHEMBL11864849 0.84 TACR2 (0.51) LMNAALDH1A1HTTMAPTPOLB
SCHEMBL16200384 0.82 LMNA (0.56) LMNAALDH1A1HTTMAPTXBP1
SCHEMBL28612540 0.80 LMNA (0.48) LMNAALDH1A1HTTMAPTXBP1
SCHEMBL20615143 0.79 CALM1 (0.58) LMNAALDH1A1HTTMAPTTSHR
SCHEMBL2559726 0.79 ALDH1A1 (0.63) LMNAALDH1A1MAPTHPGDTSHR
SCHEMBL6939966 0.79 CSNK2A1 (0.56) LMNAALDH1A1HTTMAPTXBP1
SCHEMBL1121617 0.79 LMNA (0.47) LMNAALDH1A1HTTMAPTXBP1
SCHEMBL20079748 0.79 LMNA (0.47) LMNAALDH1A1HTTMAPTXBP1

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-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 WO disclosed