SCHEMBL6400259

SCHEMBL6400259

CN1CN(C)CN(Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.64
SIGMAR1 Q99720 4/20 0.58
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
ACHE P22303 1/20 0.50
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
CCR3 P51677 1/20 0.47
GAA P10253 1/20 0.47
DRD4 P21917 1/20 0.47
CHKA P35790 1/20 0.46
FUCA1 P04066 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
Hydrochloric Acid SCHEMBL6395057 0.96 MC4R (0.60) MC4RSIGMAR1LMNAPOLBACHE
SCHEMBL1639911 0.84 SIGMAR1 (0.71) MC4RSIGMAR1LMNAPOLBACHE
SCHEMBL1836418 0.83 MC4R (0.78) MC4RSIGMAR1LMNAPOLBACHE
SCHEMBL4448723 0.81 SIGMAR1 (0.68) MC4RSIGMAR1LMNAPOLBACHE
SCHEMBL19562227 0.80 MC4R (0.61) MC4RSIGMAR1LMNAPOLBACHE
Hydrochloric Acid SCHEMBL1071013 0.79 SIGMAR1 (0.65) MC4RSIGMAR1LMNAPOLBACHE
SCHEMBL18753654 0.78 POLB (0.55) MC4RLMNAPOLBNPC1TP53
SCHEMBL2316820 0.78 MC4R (1.00) MC4RSIGMAR1LMNAPOLBACHE
SCHEMBL1044943 0.78 MC4R (1.00) MC4RSIGMAR1LMNAPOLBACHE
SCHEMBL221139 0.78 MC4R (1.00) MC4RSIGMAR1LMNAPOLBACHE

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
CN-106536490-A Radioiodinated compounds 纽泰克温图斯公司 2017-03-22 CN disclosed
US-6887958-B1 Method for polymerizing olefins BASF AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
CN-1168745-C Method for polymerising olefins BASF 2004-09-29 CN disclosed
EP-1171483-B1 METHOD FOR POLYMERISING OLEFINS BASF AG (DE) 2004-08-25 EP disclosed
CN-1353723-A Method for polymerising olefins BASF AG (DE) 2002-06-12 CN disclosed
EP-1171483-A1 METHOD FOR POLYMERISING OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2002-01-16 EP disclosed
WO-2000058370-A1 METHOD FOR POLYMERISING OLEFINS BASF AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed