SCHEMBL5254149

SCHEMBL5254149

CCOC(=O)Nc1cccc(C[C@H](C)N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
HTT P42858 2/20 0.51
F2R P25116 1/20 0.51
PARP1 P09874 1/20 0.51
TP53 P04637 1/20 0.49
MTNR1B P49286 1/20 0.49
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48

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
SCHEMBL11508276 1.00 MAPK1 (0.58) MAPK1LMNAMAPTHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL3060655 0.99 MAPK1 (0.57) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL11507396 0.87 TAAR1 (0.51) MAPK1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL22889047 0.86 MAPK1 (0.55) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL21349100 0.84 MAPK1 (0.66) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL4197894 0.82 MAPK1 (0.64) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL7475224 0.82 MAPK1 (0.64) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL7565149 0.82 MAPK1 (0.81) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL12569392 0.82 MAPK1 (0.59) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL4129269 0.81 MAPK1 (0.62) MAPK1LMNAMAPTHSD17B10ALDH1A1

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-1833831-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-19 EP disclosed
WO-2006069258-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-06-29 WO disclosed