SCHEMBL5785657

SCHEMBL5785657

[CH2]C1CCN(c2nc(-c3cccc(F)c3F)c3ccccc3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 3/20 0.41
LMNA P02545 1/20 0.41
SCN9A Q15858 4/20 0.41
ADORA2A P29274 1/20 0.40
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR2A P28223 2/20 0.37
CHEK2 O96017 1/20 0.36
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
GBA1 P04062 1/20 0.35
MAPT P10636 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
SCHEMBL6335744 0.86 ADORA2A (0.43) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL6330871 0.86 ADORA2A (0.43) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL5789603 0.84 HRH4 (0.42) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL5789600 0.84 BPTF (0.43) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL5788681 0.81 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL5788686 0.81 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL5786652 0.80 ALDH1A1 (0.64) L3MBTL1ALDH1A1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL5787924 0.79 ALDH1A1 (0.63) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL6331657 0.78 ADORA2A (0.52) L3MBTL1ALDH1A1KDM4EHPGDLMNA
SCHEMBL5788569 0.78 ADORA2A (0.52) L3MBTL1ALDH1A1KDM4EHPGDLMNA

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-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed