SCHEMBL6581527

SCHEMBL6581527

CC1(C(=O)O)CN(Cc2ccccc2)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
CYP2D6 P10635 4/20 0.46
TSHR P16473 2/20 0.45
NR3C1 P04150 1/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
APOBEC3A P31941 1/20 0.42
RECQL P46063 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
CPB2 Q96IY4 1/20 0.42

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
SCHEMBL4380505 0.84 CYP3A4 (0.51) GAACYP2D6CYP3A4MEN1KMT2A
SCHEMBL653269 0.82 GAA (0.57) GAACYP2D6TSHRNR3C1MEN1
SCHEMBL1920204 0.82 GAA (0.66) GAACYP2D6TSHRCYP3A4MEN1
SCHEMBL4364213 0.78 GAA (0.53) GAACYP2D6TSHRNR3C1MEN1
SCHEMBL1619518 0.78 GAA (0.46) GAACYP2D6TSHRNR3C1CYP3A4
SCHEMBL1619516 0.78 GAA (0.46) GAACYP2D6TSHRNR3C1CYP3A4
SCHEMBL6582036 0.77 NR3C1 (0.47) GAACYP2D6TSHRNR3C1CYP3A4
SCHEMBL4369263 0.77 GAA (0.50) GAACYP2D6TSHRNR3C1MEN1
SCHEMBL13090069 0.76 NR3C1 (0.52) GAACYP2D6TSHRNR3C1CYP3A4
SCHEMBL3315042 0.76 NR3C1 (0.49) GAACYP2D6NR3C1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453824-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS Wockhardt Limited (IN) 2004-09-08 EP disclosed
EP-1392677-A2 CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS Wockhardt Limited (IN) 2004-03-03 EP disclosed
WO-2003050107-A1 NEW GENERATION TRIPLE-TARGETING, CHIRAL, BROAD-SPECTRUM ANTIMICROBIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, COMPOSITIONS AND USE AS MEDICAMENTS WOCKHARDT LIMITED (IN) 2003-06-19 WO disclosed
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 WO disclosed
CN-1064362-C Pyrimido [5,4-D] pyrimidines, medicaments containing these compounds, their use and process for their production THOMAE GMBH DR K (DE) 2001-04-11 CN disclosed
CN-1212694-A Pyrimido [5,4-D] pyrimidines, medicaments containing these compounds, their use and process for their production THOMAE GMBH DR K (DE) 1999-03-31 CN disclosed