SCHEMBL7084682

SCHEMBL7084682

CC(c1ccnc2ccccc12)N1CC[C@H](NC(=O)[C@@H]2CCCCN2c2nc3ccccc3o2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 3/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
KDM4D Q6B0I6 1/20 0.42
ELANE P08246 2/20 0.40
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CHRNA7 P36544 1/20 0.36
HTR3A P46098 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
SORD Q00796 1/20 0.35
ACKR3 P25106 1/20 0.35

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
SCHEMBL6975277 0.84 LMNA (0.48) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL7086933 0.83 LMNA (0.46) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL6975929 0.78 LMNA (0.52) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL6972076 0.78 LMNA (0.52) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL6975506 0.78 LMNA (0.56) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL6974109 0.76 LMNA (0.53) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL7680423 0.76 LMNA (0.58) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL6975899 0.76 LMNA (0.49) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL6975553 0.75 LMNA (0.49) LMNASMN1; SMN2TSHRHTTMAPT
SCHEMBL6966984 0.75 LMNA (0.50) LMNASMN1; SMN2TSHRHTTMAPT

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