SCHEMBL972113

SCHEMBL972113

C(#Cc1ccccc1)CN1CCCN(c2nccs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
HTR2A P28223 1/20 0.53
HRH1 P35367 1/20 0.53
GRM5 P41594 2/20 0.48
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
DRD4 P21917 1/20 0.43
SLC6A7 Q99884 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 3/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
SCD O00767 1/20 0.38

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
SCHEMBL3144817 0.95 GRM5 (0.52) DRD2HTR2AHRH1GRM5LMNA
Hydrochloric Acid SCHEMBL3151562 0.94 GRM5 (0.51) DRD2HTR2AHRH1GRM5LMNA
SCHEMBL3152047 0.85 SLC6A7 (0.47) DRD2HTR2AHRH1GRM5LMNA
SCHEMBL3146148 0.83 LMNA (0.44) DRD2HTR2AHRH1GRM5LMNA
SCHEMBL3151581 0.83 LMNA (0.44) DRD2HTR2AHRH1GRM5LMNA
SCHEMBL3148620 0.83 LMNA (0.44) DRD2HTR2AHRH1GRM5LMNA
SCHEMBL3151935 0.83 LMNA (0.44) DRD2HTR2AHRH1GRM5LMNA
SCHEMBL3155296 0.83 GRIN2B (0.44) DRD2HTR2AHRH1GRM5LMNA
SCHEMBL3160433 0.81 GRM5 (0.40) DRD2HTR2AHRH1GRM5RAB9A
SCHEMBL3147927 0.81 GRM5 (0.40) DRD2HTR2AHRH1GRM5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed