SCHEMBL7205140

SCHEMBL7205140

O=C(O)C(CCc1ccccn1)CCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.57
CYP1A2 P05177 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 1/20 0.53
HRH1 P35367 1/20 0.48
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP3A4 P08684 1/20 0.45
FDPS P14324 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7075846 0.90 PTPRA (0.51) PTPRACYP1A2SMN1; SMN2CYP2C19HRH1
SCHEMBL1857456 0.89 GRIK1 (0.54) PTPRACYP1A2SMN1; SMN2CYP2C19RAB9A
SCHEMBL8868140 0.88 SMN1; SMN2 (0.50) PTPRACYP1A2SMN1; SMN2CYP2C19HRH1
SCHEMBL7075416 0.87 PTPRA (0.59) PTPRACYP1A2SMN1; SMN2CYP2C19HRH1
SCHEMBL1176394 0.83 SLC1A5 (0.56) PTPRACYP1A2SMN1; SMN2CYP2C19HRH1
SCHEMBL30428132 0.83 SLC1A5 (0.56) PTPRACYP1A2SMN1; SMN2CYP2C19HRH1
SCHEMBL1768948 0.83 SLC1A5 (0.56) PTPRACYP1A2SMN1; SMN2CYP2C19HRH1
SCHEMBL1130371 0.83 PTPRA (0.54) PTPRACYP1A2SMN1; SMN2CYP2C19HRH1
SCHEMBL10367159 0.81 PTPRA (0.53) PTPRACYP1A2SMN1; SMN2CYP2C19HRH1
SCHEMBL7613692 0.81 MMP3 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882712-B1 PROCESS FOR PREPARING ACID SALTS OF GAMMA-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO (JP) 2003-04-23 EP claimed
US-6197961-B1 HYDROGENATION OF G-(PYRIDYL)BUTYRIC ACID SALT IN SOLVENT USING PALLADIUM, RHODIUM, OR RUTHENIUM CATALYST; HYDROLYSIS, DECARBOXYLATION KOEI CHEMICAL CO., LTD. (JP) 2001-03-06 US claimed
EP-0882712-A1 PROCESS FOR PREPARING ACID SALTS OF $g(g)-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO., LTD. (JP) 1998-12-09 EP claimed
EP-0882712-B1 PROCESS FOR PREPARING ACID SALTS OF GAMMA-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO (JP) 2003-04-23 EP disclosed
EP-0882712-B1 PROCESS FOR PREPARING ACID SALTS OF GAMMA-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO (JP) 2003-04-23 EP disclosed
US-6197961-B1 HYDROGENATION OF G-(PYRIDYL)BUTYRIC ACID SALT IN SOLVENT USING PALLADIUM, RHODIUM, OR RUTHENIUM CATALYST; HYDROLYSIS, DECARBOXYLATION KOEI CHEMICAL CO., LTD. (JP) 2001-03-06 US disclosed
US-6197961-B1 HYDROGENATION OF G-(PYRIDYL)BUTYRIC ACID SALT IN SOLVENT USING PALLADIUM, RHODIUM, OR RUTHENIUM CATALYST; HYDROLYSIS, DECARBOXYLATION KOEI CHEMICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0882712-A4 PROCESS FOR PREPARING ACID SALTS OF -g(g)-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO (JP) 1999-12-08 EP disclosed
EP-0882712-A1 PROCESS FOR PREPARING ACID SALTS OF $g(g)-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0882712-A1 PROCESS FOR PREPARING ACID SALTS OF $g(g)-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO., LTD. (JP) 1998-12-09 EP disclosed
WO-1998015531-A1 PROCESS FOR PREPARING ACID SALTS OF η-(PIPERIDYL)BUTYRIC ACID KOEI CHEMICAL CO., LTD. (JP) 1998-04-16 WO disclosed