SCHEMBL3258732

SCHEMBL3258732

CCC1CC1(N)COc1cncc(-c2ccc(OC)c(OC)c2OC)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.41
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CHRNB1 P11230 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNB3 Q05901 2/20 0.33
CYP17A1 P05093 1/20 0.33
ADORA1 P30542 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNH2 Q12809 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
SCHEMBL4627064 0.81 FPR2 (0.39) FPR2CYP11B1CYP11B2CHRNB1CHRNB2
Hydrochloric Acid SCHEMBL3770830 0.78 FPR2 (0.39) FPR2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3258733 0.77 FPR2 (0.40) FPR2CYP11B1CYP11B2
SCHEMBL3146461 0.77 FPR2 (0.39) FPR2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3767824 0.76 FPR2 (0.39) FPR2CYP11B1CYP11B2
SCHEMBL3155856 0.72 FPR2 (0.38) FPR2
SCHEMBL3257677 0.69 CHRNB2 (0.48) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL28743751 0.63 ERN1 (0.53) CYP11B1CYP11B2CYP17A1ADORA1HPGD
SCHEMBL3151922 0.62 SYK (0.34) HPGDMAPK1KCNH2
SCHEMBL3150832 0.60 ACVR1B (0.40) CYP11B1CYP11B2

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