SCHEMBL6974472

SCHEMBL6974472

O=C(NC1CCCN(Cc2ccccc2)C1)[C@@H]1CCCCN1c1nc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.52
OPRK1 P41145 1/20 0.50
CCR4 P51679 4/20 0.44
ELANE P08246 2/20 0.43
KAT2B Q92831 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 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
SCHEMBL6968264 0.96 OPRK1 (0.56) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6978779 0.96 OPRK1 (0.56) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6971418 0.90 LMNA (0.54) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6975047 0.90 OPRK1 (0.48) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6967773 0.88 CXCR4 (0.47) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6972482 0.86 OPRK1 (0.44) OPRK1CCR4KMT2A
SCHEMBL7084048 0.86 LMNA (0.46) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6974967 0.85 OPRK1 (0.45) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6974109 0.84 LMNA (0.53) LMNAMAPTSMN1; SMN2TSHRHTT
SCHEMBL6968732 0.84 LMNA (0.52) 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 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