SCHEMBL3658246

SCHEMBL3658246

O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(-c3ccccn3)cc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX2 P34913 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
BCHE P06276 1/20 0.43
HSD11B1 P28845 7/20 0.42
CNR2 P34972 2/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL974424 0.82 HSD11B1 (0.50) HSD11B1
SCHEMBL975332 0.82 CNR2 (0.45) ALDH1A1KDM4EHSD17B10HTTEPHX2
SCHEMBL27809384 0.79 SLC6A7 (0.43) KDM4EHSD11B1CNR2
SCHEMBL975065 0.75 LMNA (0.44) ALDH1A1KDM4EHSD17B10HTTMAPT
SCHEMBL977393 0.74 HSD11B1 (0.71) ALDH1A1KDM4EHSD17B10HTTMAPT
SCHEMBL974304 0.72 CNR2 (0.41) HTTEPHX2BCHEHSD11B1CNR2
SCHEMBL973461 0.72 ALDH1A1 (0.53) ALDH1A1HSD17B10HTTCYP1A2CYP3A4
SCHEMBL16208130 0.70 HSD11B1 (0.37) HSD11B1
SCHEMBL976942 0.69 NAMPT (0.45) HTTEPHX2HSD11B1LMNA
SCHEMBL15544821 0.69 CNR2 (0.69) HTTMAPTSMN1; SMN2NPSR1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP claimed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO claimed
EP-2238126-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009112691-A2 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-09-17 WO disclosed