SCHEMBL6975277

SCHEMBL6975277

CC(C(N)=O)N1CC[C@H](NC(=O)[C@@H]2CCCCN2c2nc3ccccc3o2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 3/20 0.48
HTT P42858 2/20 0.48
ELANE P08246 2/20 0.43
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
CHRM4 P08173 1/20 0.37
PTGES O14684 3/20 0.37
PTGS2 P35354 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7084682 0.84 LMNA (0.45) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6966984 0.82 LMNA (0.50) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6972076 0.82 LMNA (0.52) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6975929 0.82 LMNA (0.52) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6975288 0.81 LMNA (0.48) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6974109 0.80 LMNA (0.53) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL7680423 0.80 LMNA (0.58) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6978779 0.79 OPRK1 (0.56) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6968264 0.79 OPRK1 (0.56) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL7846258 0.79 LMNA (0.59) LMNAMAPTSMN1; SMN2TSHRHTT

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