SCHEMBL3155285

SCHEMBL3155285

NCC1(COc2cnc(Cl)c(-c3cc(Cl)ccc3Cl)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR2B P41595 1/20 0.35
PDE4D Q08499 1/20 0.35
SIK1 P57059 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
SIK3 Q9Y2K2 1/20 0.33
SGK1 O00141 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
IDO1 P14902 1/20 0.31
KDM1A O60341 1/20 0.31

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
Hydrochloric Acid SCHEMBL3781499 0.99 CHRNB4 (0.34) CHRNB4CHRNA3CHRNA7HTR2BPDE4D
SCHEMBL3145422 0.83 INPPL1 (0.43) CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL3775585 0.82 INPPL1 (0.42) CHRNB4CHRNA3
SCHEMBL3155932 0.82 DHFR (0.39) CHRNB4CHRNA3CHRNA7KDM1A
SCHEMBL3155918 0.81 FGFR1 (0.33)
SCHEMBL3141866 0.81 CHRNB4 (0.37) CHRNB4CHRNA3CHRNA7KDM1A
SCHEMBL3141943 0.81 GAK (0.33) CHRNB4CHRNA3CHRNA7SIK1SIK2
Hydrochloric Acid SCHEMBL3767963 0.81 DHFR (0.38) CHRNB4CHRNA3CHRNA7KDM1A
Hydrochloric Acid SCHEMBL3776498 0.81 FGFR1 (0.32)
Hydrochloric Acid SCHEMBL3780031 0.80 GAK (0.32) CHRNB4CHRNA3CHRNA7SIK1SIK2

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-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed