SCHEMBL3663715

SCHEMBL3663715

CS(=O)(=O)N1CCN(c2ncc(N3CCN(C(=O)O)c4ccccc43)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.55
LMNA P02545 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRL1 P41146 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 8/20 0.43
TSHR P16473 2/20 0.43
MAPK10 P53779 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DCTPP1 Q9H773 1/20 0.41

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
SCHEMBL3666370 0.91 HSD11B1 (0.62) HSD11B1LMNAOPRM1OPRL1NPC1
SCHEMBL3665830 0.87 HSD11B1 (0.54) HSD11B1NPC1RAB9AKDM4EALDH1A1
SCHEMBL975783 0.85 HSD11B1 (0.59) HSD11B1NPC1RAB9AKDM4EALDH1A1
SCHEMBL3664472 0.85 HSD11B1 (0.63) HSD11B1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3664626 0.82 HSD11B1 (0.47) HSD11B1LMNANPC1RAB9AKDM4E
SCHEMBL9982148 0.81 HSD11B1 (0.55) HSD11B1NPC1RAB9AKDM4EALDH1A1
SCHEMBL3666347 0.80 HSD11B1 (0.42) HSD11B1LMNAALDH1A1L3MBTL1MAPT
SCHEMBL3666358 0.80 HSD11B1 (0.47) HSD11B1KDM4EALDH1A1TSHRMAPK10
SCHEMBL3666738 0.80 HSD11B1 (0.47) HSD11B1LMNAKDM4EALDH1A1TSHR
SCHEMBL3665653 0.78 HSD11B1 (0.52) HSD11B1KDM4EALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238126-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP claimed
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN claimed
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-B1 DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
CN-101981026-A Tetrahydroquinoxaline urea derivatives, their preparation and their therapeutic use SANOFI AVENTIS 2011-02-23 CN disclosed
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