SCHEMBL6978779

SCHEMBL6978779

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.56
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
CCR4 P51679 4/20 0.46
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DPP7 Q9UHL4 1/20 0.45
MC4R P32245 3/20 0.45

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 1.00 OPRK1 (0.56) OPRK1LMNASMN1; SMN2MAPTTSHR
SCHEMBL6974472 0.96 LMNA (0.52) OPRK1LMNASMN1; SMN2MAPTTSHR
SCHEMBL6971418 0.95 LMNA (0.54) OPRK1LMNASMN1; SMN2MAPTTSHR
SCHEMBL6975047 0.94 OPRK1 (0.48) OPRK1LMNASMN1; SMN2MAPTTSHR
SCHEMBL6967773 0.92 CXCR4 (0.47) OPRK1LMNASMN1; SMN2MAPTTSHR
SCHEMBL6972482 0.90 OPRK1 (0.44) OPRK1CCR4DRD2DRD4DPP7
SCHEMBL7084048 0.90 LMNA (0.46) OPRK1LMNASMN1; SMN2MAPTTSHR
SCHEMBL6974967 0.90 OPRK1 (0.45) OPRK1LMNASMN1; SMN2MAPTTSHR
SCHEMBL6968732 0.89 LMNA (0.52) OPRK1LMNASMN1; SMN2MAPTTSHR
SCHEMBL7083455 0.88 LMNA (0.47) OPRK1LMNASMN1; SMN2MAPTTSHR

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