SCHEMBL4590508

SCHEMBL4590508

CC(C)(C)ONC1CCCC(NCc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.57
PRMT6 Q96LA8 2/20 0.57
ALDH1A1 P00352 2/20 0.54
MCHR1 Q99705 1/20 0.52
RIPK2 O43353 1/20 0.48
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
PRMT5 O14744 3/20 0.41
WDR77 Q9BQA1 3/20 0.41
SCN9A Q15858 3/20 0.41
MAPK14 Q16539 1/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.40
KCNH2 Q12809 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL2466378 0.86 CARM1 (0.68) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL29456931 0.86 CARM1 (0.68) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL4590922 0.83 CARM1 (0.57) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL8214422 0.80 CARM1 (0.54) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL8216669 0.79 CARM1 (0.61) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL1006996 0.77 CARM1 (0.61) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL375222 0.77 CARM1 (0.61) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL8208284 0.77 CARM1 (0.59) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL8214788 0.76 MCHR1 (0.53) CARM1PRMT6ALDH1A1MCHR1RIPK2
SCHEMBL8206265 0.76 MCHR1 (0.53) CARM1PRMT6ALDH1A1MCHR1RIPK2

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