SCHEMBL6979378

SCHEMBL6979378

O=C(NC1CCNCC1)[C@@H]1CCCCN1c1nc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
TSHR P16473 2/20 0.59
ELANE P08246 2/20 0.47
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
PTGES O14684 4/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL7846258 1.00 LMNA (0.59) LMNAMAPTSMN1; SMN2HTTTSHR
SCHEMBL6970992 0.94 LMNA (0.54) LMNAMAPTSMN1; SMN2HTTTSHR
SCHEMBL6976210 0.94 LMNA (0.54) LMNAMAPTSMN1; SMN2HTTTSHR
Tert-Butyl Formate SCHEMBL27495904 0.90 LMNA (0.49) LMNAMAPTSMN1; SMN2HTTTSHR
SCHEMBL7680423 0.87 LMNA (0.58) LMNAMAPTSMN1; SMN2HTTTSHR
SCHEMBL6971418 0.84 LMNA (0.54) LMNAMAPTSMN1; SMN2HTTTSHR
SCHEMBL6974109 0.83 LMNA (0.53) LMNAMAPTSMN1; SMN2HTTTSHR
SCHEMBL27495903 0.82 LMNA (0.52) LMNAMAPTSMN1; SMN2HTTTSHR
SCHEMBL6972076 0.82 LMNA (0.52) LMNAMAPTSMN1; SMN2HTTTSHR
SCHEMBL6975929 0.82 LMNA (0.52) LMNAMAPTSMN1; SMN2HTTTSHR

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-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