SCHEMBL4860694

SCHEMBL4860694

CCc1cccc(-c2cc(OC(C)C)c(COc3ccc4c(c3)CCCC4)c(C)n2)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
S1PR1 P21453 8/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35

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
SCHEMBL1329208 0.90 C5AR1 (0.41) GRM5S1PR1RAB9ANPC1MAPT
SCHEMBL1327918 0.79 C5AR1 (0.45) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL1329718 0.77 GRM5 (0.42) GRM5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1328649 0.76 RXRA (0.43) MRGPRX4C5AR1RXRARXRBRXRG
SCHEMBL1329407 0.75 C5AR1 (0.38) RAB9ANPC1MAPTL3MBTL1MEN1
SCHEMBL1327238 0.75 C5AR1 (0.40) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL1327672 0.74 C5AR1 (0.39) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL1328738 0.73 C5AR1 (0.39) RAB9ANPC1MAPTHTTNPSR1
SCHEMBL1329519 0.73 C5AR1 (0.38) S1PR1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL1329454 0.73 FFAR1 (0.38) MAPTHTTC5AR1MAOB

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
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US claimed