SCHEMBL3973159

SCHEMBL3973159

COC(=O)c1ccc2c(c1)c(CCCCN)cn2-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
ROCK1 Q13464 1/20 0.41
FGFR1 P11362 1/20 0.40
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR7 P34969 1/20 0.38
MAPT P10636 2/20 0.38
RGS12 O14924 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CAMK2D Q13557 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
RAB9A P51151 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3974184 0.93 POLB (0.50) POLBGAATSHRROCK1FGFR1
SCHEMBL3972972 0.85 MTNR1A (0.52) FGFR1MTNR1AMTNR1B
SCHEMBL3968489 0.83 POLB (0.47) POLBGAATSHRROCK1FGFR1
SCHEMBL3976475 0.82 PTAFR (0.45) POLBGAATSHRMAPTHPGD
SCHEMBL13883896 0.79 POLB (0.38) POLBGAATSHRROCK1KDM4E
SCHEMBL13883862 0.79 POLB (0.43) POLBGAATSHRROCK1FGFR1
SCHEMBL3971220 0.79 KCNH2 (0.47)
SCHEMBL3968490 0.77 POLB (0.53) POLBGAATSHRFGFR1KDM4E
SCHEMBL3969149 0.77 MTNR1A (0.54) FGFR1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3969364 0.76 MTNR1A (0.53) FGFR1MTNR1AMTNR1B

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-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed