SCHEMBL3721757

SCHEMBL3721757

O=C(O)N1CCN(c2ccc(-c3ccc(OC(F)C(F)F)cn3)cc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.38
MCHR1 Q99705 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
ROCK2 O75116 2/20 0.32
HDAC4 P56524 1/20 0.32
TNKS O95271 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CSF1R P07333 1/20 0.31
MET P08581 1/20 0.31
KDR P35968 1/20 0.31
LDHA P00338 1/20 0.31

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
SCHEMBL3802196 0.88 HSD11B1 (0.39) HSD11B1MCHR1LMNAROCK2TNKS2
SCHEMBL3665796 0.85 HSD11B1 (0.37) HSD11B1MCHR1NPC1RAB9A
SCHEMBL3792452 0.82 MDM2 (0.40) HSD11B1MCHR1NPC1LMNAHTT
SCHEMBL9982786 0.82 LIPE (0.39) HSD11B1MCHR1
SCHEMBL3667493 0.81 HSD11B1 (0.38) HSD11B1MCHR1ROCK2
SCHEMBL3662832 0.78 HRH3 (0.43) HSD11B1MCHR1ROCK2TNKS2
SCHEMBL3664852 0.77 HSD11B1 (0.41) HSD11B1NPC1RAB9ALDHA
SCHEMBL27809384 0.76 SLC6A7 (0.43) HSD11B1KDM4E
SCHEMBL3792118 0.76 HSD11B1 (0.41) HSD11B1LMNAHTTTNKS2KDM4E
SCHEMBL3666304 0.74 HSD11B1 (0.42) HSD11B1NPC1LMNAHTTRAB9A

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-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