SCHEMBL3797549

SCHEMBL3797549

CCOC(=O)C(C)(C)N1CCC([AsH]Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ POLB P06746 2/20 0.42
▸ CCR5 P51681 2/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ TPX2 Q9ULW0 1/20 0.37
▸ OPRK1 P41145 1/20 0.36

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
SCHEMBL2806279 0.83 BCHE (0.52) HRH2HRH1POLBEPHX2HRH3
SCHEMBL3797015 0.73 BCHE (0.54) EPHX2HRH3
SCHEMBL2802000 0.70 TEAD1 (0.53) EPHX2ALDH1A1
SCHEMBL2808223 0.70 BCHE (0.51) EPHX2HRH3
SCHEMBL26924850 0.69 POLB (0.58) HRH2HRH1POLBEPHX2HRH3
SCHEMBL13439595 0.68 ACHE (0.46) HRH3
SCHEMBL31152969 0.68 TSHR (0.52) HRH2HRH1TSHRALDH1A1
SCHEMBL8794052 0.68 PPARA (0.71) HRH2HRH1POLBEPHX2TSHR
SCHEMBL3100843 0.67 POLB (0.52) HRH2HRH1POLBEPHX2HRH3
SCHEMBL14653830 0.66 PPARA (0.52) HRH2HRH1POLBEPHX2TSHR

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-2152865-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2010-02-17 — — EP disclosed
WO-2008140449-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 — — WO disclosed
Send feedback