SCHEMBL7415432

SCHEMBL7415432

N=C(N)N(N)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
EGLN1 Q9GZT9 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
PHF8 Q9UPP1 3/20 0.36
KDM2A Q9Y2K7 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KDM5C P41229 2/20 0.36
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 2/20 0.33
GABRR1 P24046 2/20 0.33
TSHR P16473 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
HDAC3 O15379 1/20 0.33
GABBR2 O75899 1/20 0.33

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
SCHEMBL28742783 0.86 LMNA (0.42) LMNAALDH1A1CYP1A2GABRR1TSHR
SCHEMBL28455132 0.85 LMNA (0.46) LMNAALDH1A1CYP1A2GABRR1TSHR
SCHEMBL29405740 0.77 LMNA (0.42) LMNAEGLN1ALKBH5SUCNR1PHF8
SCHEMBL11406977 0.76
Heptanoate SCHEMBL27591538 0.76 GPR84 (0.57) LMNAALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL8199567 0.75
SCHEMBL3175734 0.74 NOS3 (0.52) EGLN1PHF8KDM2AKDM5CNOS3
Hydrochloric Acid SCHEMBL11409292 0.73 GRIN2D (0.30) ALDH1A1
Bromide SCHEMBL7533244 0.73 TDP1 (0.36) LMNAKDM4ECYP2C19TSHRBLM
SCHEMBL7747710 0.73 LMNA (0.42) LMNAEGLN1ALKBH5SUCNR1PHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097580-C Aminoguanidine carboxylates for the treatment of non-insulin dependent diabetes mellitus BIOVITRUM AB (SE) 2003-01-01 CN disclosed
CN-1377642-A Use of compound for preparing medicine for curing and preventing non-insulin dependent diabetes or obesity BIOVITRUM AB (SE) 2002-11-06 CN disclosed
CN-1164226-A Aminoguanidine carboxylates for the treatment of non-insulin dependent diabetes mellitus UPJOHN CO (US) 1997-11-05 CN disclosed
US-5382568-A Regulating release of prolactin and luteinizing hormone ARIZONA BOARD OF REGENTS (US) 1995-01-17 US disclosed
WO-1993003752-A1 DECAPEPTIDE HAVING DOPAMINE STIMULATING ACTIVITY THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 1993-03-04 WO disclosed