SCHEMBL4627064

SCHEMBL4627064

COc1ccc(-c2cncc(OCC3(C)CC3(C)N)c2)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.39
ADORA1 P30542 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
ERN1 O75460 1/20 0.33
CYP17A1 P05093 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3258732 0.81 FPR2 (0.41) FPR2ADORA1CYP11B1CYP11B2CYP17A1
SCHEMBL3146461 0.80 FPR2 (0.39) FPR2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3767824 0.79 FPR2 (0.39) FPR2CYP11B1CYP11B2
SCHEMBL3258733 0.78 FPR2 (0.40) FPR2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3770830 0.77 FPR2 (0.39) FPR2CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL3155856 0.75 FPR2 (0.38) FPR2ERN1
SCHEMBL28743751 0.66 ERN1 (0.53) ADORA1CYP11B1CYP11B2ERN1CYP17A1
SCHEMBL3151922 0.64 SYK (0.34) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL3150832 0.63 ACVR1B (0.40) CYP11B1CYP11B2
SCHEMBL27503313 0.63 CYP17A1 (0.60) CYP11B1CYP11B2CYP17A1KDM4EMAPK1

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-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2008-10-15 EP disclosed
WO-2007085750-A1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2007-08-02 WO disclosed