SCHEMBL6576164

SCHEMBL6576164

CC(C)N(C(C)C)C(O)(CCc1cccc(C(=O)O)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
FOLH1 Q04609 3/20 0.42
MEP1B Q16820 5/20 0.41
MRGPRX4 Q96LA9 4/20 0.41
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
ANPEP P15144 1/20 0.39
ENPEP Q07075 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL6577652 0.88 CYP4F2 (0.52) FOLH1MRGPRX4HIF1AIDO1
SCHEMBL6577714 0.83 GRM2 (0.41) GRM2GRM3FOLH1MEP1BMRGPRX4
SCHEMBL27760814 0.75 FOLH1 (0.58) GRM2GRM3FOLH1MEP1BMRGPRX4
SCHEMBL6577612 0.72 CYP4F2 (0.53) FOLH1MRGPRX4HIF1AIDO1
SCHEMBL17459846 0.72 FOLH1 (0.54) GRM2GRM3FOLH1MRGPRX4CYP2D6
SCHEMBL30395109 0.71 FOLH1 (0.66) FOLH1MRGPRX4KMT2ACYP2D6CYP2C9
SCHEMBL1817886 0.71 FOLH1 (0.66) FOLH1MRGPRX4KMT2ACYP2D6CYP2C9
SCHEMBL28374573 0.71 NR1H4 (0.59) FOLH1MRGPRX4NR1H4
SCHEMBL371526 0.71 FOLH1 (0.70) FOLH1MEP1BMRGPRX4KMT2ACYP2D6
SCHEMBL848969 0.70 FOLH1 (0.56) FOLH1MEP1BMRGPRX4ANPEPENPEP

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-1383730-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE Aryx Therapeutics (US) 2004-01-28 EP claimed
WO-2002096855-A2 ANTICHOLINERGIC COMPOUNDS AND METHODS OF USE ARYX THERAPEUTICS (US) 2002-12-05 WO claimed