SCHEMBL3428624

SCHEMBL3428624

CCC(NC(=O)NCc1ccc(Cl)cc1)c1c(CC(=O)OC)cc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGES O14684 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
TSHR P16473 1/20 0.37
PPARA Q07869 5/20 0.37
PPARG P37231 4/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
PPARD Q03181 2/20 0.37
MAPT P10636 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 2/20 0.36
EPHX2 P34913 2/20 0.36
HPGD P15428 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
SCHEMBL156724 0.80 MAPT (0.38) CNR2SMN1; SMN2UTS2RTSHRPPARA
SCHEMBL150643 0.78 MAPT (0.38) CNR2SMN1; SMN2UTS2RTSHRPPARA
SCHEMBL3428621 0.77 PTGDR2 (0.50) CNR2MAPTPTGDR2CNR1ALDH1A1
SCHEMBL3426175 0.73 PSEN1 (0.41) UTS2RPSEN1PSEN2APH1BNCSTN
SCHEMBL153792 0.72 ALDH1A1 (0.40) CNR2SMN1; SMN2UTS2RTSHRPPARA
SCHEMBL152980 0.72 PTGDR2 (0.38) UTS2RMAPTPTGDR2
SCHEMBL3433469 0.72 PPARA (0.40) SMN1; SMN2PTGESTSHRPPARAPPARG
SCHEMBL3412764 0.72 PTGDR2 (0.48) CNR2PTGESMAPTPTGDR2CNR1
SCHEMBL154952 0.71 ALDH1A1 (0.40) CNR2SMN1; SMN2UTS2RTSHRPPARA
SCHEMBL155332 0.71 PTGDR2 (0.40) PPARAMAPTPTGDR2

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-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed