SCHEMBL7083455

SCHEMBL7083455

O=C(N[C@H]1CCN(Cc2ccc3ccccc3n2)C1)[C@@H]1CCCCN1c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 2/20 0.47
MCHR1 Q99705 1/20 0.44
OPRK1 P41145 1/20 0.42
FAAH O00519 2/20 0.41
ELANE P08246 2/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR4 P51679 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 2/20 0.38
OPRL1 P41146 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL6975899 0.88 LMNA (0.49) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6968264 0.88 OPRK1 (0.56) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6978779 0.88 OPRK1 (0.56) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6975047 0.86 OPRK1 (0.48) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6978579 0.85 LMNA (0.45) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL7084048 0.85 LMNA (0.46) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6966984 0.84 LMNA (0.50) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6974472 0.84 LMNA (0.52) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL6980579 0.84 LMNA (0.46) LMNASMN1; SMN2MAPTHTTTSHR
SCHEMBL7086933 0.84 LMNA (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP claimed
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US claimed
US-6562964-B1 Inhibitors of rotamase enzymes in particular FKBP-12 and FKBP-52. The compounds therefore moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases or other disorders PFIZER INC 2003-05-13 US disclosed
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP disclosed
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US disclosed