SCHEMBL8303860

SCHEMBL8303860

O[C@H]1CN[C@H](COc2cccc(Cl)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
TAAR1 Q96RJ0 1/20 0.43
ALK Q9UM73 1/20 0.42
WDR5 P61964 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GRM2 Q14416 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7845697 0.82 LTA4H (0.47) CHRNB4CHRNA3ALK
SCHEMBL6979570 0.82 LTA4H (0.47) CHRNB4CHRNA3ALK
SCHEMBL4322026 0.77 LTA4H (0.56) ALK
Hydrochloric Acid SCHEMBL21522191 0.76 CYSLTR1 (0.45) CHRNB4CHRNA3ALKLMNAMAPK1
SCHEMBL25155912 0.76 ALK (0.45) CHRNB4CHRNA3ALKHTTSMN1; SMN2
SCHEMBL8439888 0.75 CHRNB2 (0.63) CHRNB4CHRNA3CHRNB2CHRNA4CYP2D6
SCHEMBL8439884 0.75 CHRNB2 (0.63) CHRNB4CHRNA3CHRNB2CHRNA4CYP2D6
SCHEMBL8439886 0.75 CHRNB2 (0.63) CHRNB4CHRNA3CHRNB2CHRNA4CYP2D6
SCHEMBL8303957 0.74 CHRNA3 (0.70) CHRNB4CHRNA3
SCHEMBL2202363 0.74 SSTR4 (0.40) CHRNB4CHRNA3ALKHTTSLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP disclosed