SCHEMBL4575142

SCHEMBL4575142

O=C1CCC(NCc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.60
PRMT6 Q96LA8 3/20 0.60
ALDH1A1 P00352 1/20 0.51
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.48
MCHR1 Q99705 1/20 0.46
MAPK14 Q16539 1/20 0.46
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
EPHX1 P07099 1/20 0.45
RIPK2 O43353 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
DAO P14920 1/20 0.43
GRM2 Q14416 1/20 0.42
GRIN2B Q13224 1/20 0.41

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 0.89 CARM1 (0.68) CARM1PRMT6ALDH1A1BCHEACHE
SCHEMBL29456931 0.89 CARM1 (0.68) CARM1PRMT6ALDH1A1BCHEACHE
SCHEMBL1006996 0.83 CARM1 (0.61) CARM1PRMT6ALDH1A1BCHEACHE
SCHEMBL375222 0.83 CARM1 (0.61) CARM1PRMT6ALDH1A1BCHEACHE
SCHEMBL8216669 0.80 CARM1 (0.61) CARM1PRMT6ALDH1A1BCHEACHE
SCHEMBL4590922 0.79 CARM1 (0.57) CARM1PRMT6ALDH1A1BCHEACHE
SCHEMBL8214422 0.79 CARM1 (0.54) CARM1PRMT6ALDH1A1BCHEACHE
SCHEMBL8212416 0.78 CARM1 (0.56) CARM1PRMT6ALDH1A1BCHEACHE
SCHEMBL8208284 0.78 CARM1 (0.59) CARM1PRMT6ALDH1A1BCHEACHE
SCHEMBL4399401 0.77 CRBN (0.51) CARM1PRMT6MAPK14KDM5AKDM4C

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