SCHEMBL7974526

SCHEMBL7974526

O=C(O)[C@@H]1CCCN1CCCS

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
REN P00797 1/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
PEPD P12955 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
HRH1 P35367 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CYP1A2 P05177 1/20 0.40

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
SCHEMBL624298 0.93 ACE (0.42) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL9105160 0.84 HTT (0.41) ACELMNAHSD17B10CYP2C19REN
SCHEMBL1360593 0.84 CYP1A2 (0.40) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL1360596 0.84 HTT (0.41) ACELMNAHSD17B10CYP2C19REN
SCHEMBL9090390 0.82 ACE (0.41) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL9090397 0.82 ACE (0.41) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL2638664 0.82 NR1I2 (0.55) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL8892725 0.82 NR1I2 (0.55) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL13974938 0.82 NR1I2 (0.55) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL608771 0.81 ACE (0.39) ACELMNAHSD17B10CYP2C19KDM4E

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-111004314-A Preparation method of iron protein succinate with high iron loading capacity 江苏中天药业有限公司 2020-04-14 CN disclosed
US-6204385-B1 REACTING THE CORRESPONDING NITRILE WITH AMMONIA, AMINE OR HYDRAZINE IN THE PRESENCE OF A MERCAPTOCARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0931069-B1 PROCESS FOR PREPARING AMIDINES BASF AG (DE) 2000-11-29 EP disclosed
EP-0931069-A1 PROCESS FOR PREPARING AMIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
WO-1998009950-A1 PROCESS FOR PREPARING AMIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-03-12 WO disclosed