SCHEMBL8212410

SCHEMBL8212410

CC(C)(C)OC(=O)N1CCCC(NCc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.57
PRMT6 Q96LA8 2/20 0.57
GLS O94925 1/20 0.50
ALDH1A1 P00352 2/20 0.47
USP30 Q70CQ3 2/20 0.47
EPHX1 P07099 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
EPHX2 P34913 2/20 0.44
GPR119 Q8TDV5 2/20 0.44
TEAD1 P28347 2/20 0.43
MCHR1 Q99705 1/20 0.43
CCNT1 O60563 1/20 0.43
STS P08842 1/20 0.43

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
SCHEMBL4171022 0.84 STS (0.55) ALDH1A1USP30EPHX1ACHEGPR119
SCHEMBL20267975 0.84 STS (0.55) ALDH1A1USP30EPHX1ACHEGPR119
SCHEMBL20566961 0.82 TEAD1 (0.63) CARM1PRMT6SCN9AEPHX2GPR119
SCHEMBL4574282 0.82 USP30 (0.60) ALDH1A1USP30EPHX1GPR119MCHR1
SCHEMBL22387579 0.82 STS (0.48) ALDH1A1USP30EPHX1EPHX2GPR119
SCHEMBL4244799 0.82 GPR119 (0.61) CARM1PRMT6ALDH1A1EPHX1GPR119
SCHEMBL3758709 0.81 GPR119 (0.57) ALDH1A1EPHX1BCHEACHEBACE1
SCHEMBL4210228 0.80 CARM1 (0.55) CARM1PRMT6ALDH1A1USP30EPHX1
SCHEMBL4139961 0.80 STS (0.56) CARM1PRMT6ALDH1A1EPHX1CCNT1
SCHEMBL16462875 0.80 KCNH2 (0.46) CARM1PRMT6ALDH1A1EPHX1KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008065500-A2 HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed