SCHEMBL7680423

SCHEMBL7680423

O=C(NC1CCN(C(=O)O)CC1)[C@@H]1CCCCN1c1nc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
TSHR P16473 1/20 0.58
ELANE P08246 2/20 0.46
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
PTGES O14684 4/20 0.43
PTGS2 P35354 1/20 0.43
CHRNA7 P36544 1/20 0.42
HTR3A P46098 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
EPHX2 P34913 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
SCHEMBL6979378 0.87 LMNA (0.59) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL7846258 0.87 LMNA (0.59) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6971418 0.87 LMNA (0.54) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6975246 0.86 LMNA (0.54) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6970992 0.83 LMNA (0.54) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6976210 0.83 LMNA (0.54) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6978779 0.83 OPRK1 (0.56) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL27495903 0.83 LMNA (0.52) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6968264 0.83 OPRK1 (0.56) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6972771 0.83 SMN1; SMN2 (0.48) LMNASMN1; SMN2MAPTHTTTSHR

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
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US disclosed
EP-1100797-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES Pfizer Limited (GB) 2001-05-23 EP disclosed
WO-2000005232-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LIMITED (GB) 2000-02-03 WO disclosed