SCHEMBL7539952

SCHEMBL7539952

CCOC(=O)C(c1ccc(N)cc1)N1CCC(=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.38
SLC6A3 Q01959 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
PRKCZ Q05513 1/20 0.36
PDE4D Q08499 1/20 0.36
PPID Q08752 1/20 0.36

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
SCHEMBL20481318 0.87 CHRM2 (0.53) ALDH1A1KDM4ELMNACHRM2CHRM1
SCHEMBL7448825 0.84 KDM4E (0.45) ALDH1A1KDM4ELMNACHRM2CHRM1
SCHEMBL7436584 0.82 CYP2C19 (0.49) ALDH1A1KDM4EHTTLMNACYP1A2
SCHEMBL7441269 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHTTLMNAMEN1
SCHEMBL7435164 0.80 HPGD (0.50) ALDH1A1KDM4ELMNACYP1A2CYP3A4
Phenylacetic Acid SCHEMBL20481306 0.80 CHRM2 (0.46) ALDH1A1KDM4ELMNACYP1A2CHRM2
SCHEMBL13114821 0.78 NPY2R (0.57) ALDH1A1KDM4ELMNACHRM2CHRM1
SCHEMBL13114822 0.78 NPY2R (0.57) ALDH1A1KDM4ELMNACHRM2CHRM1
SCHEMBL13114829 0.78 NPY2R (0.57) ALDH1A1KDM4ELMNACHRM2CHRM1
SCHEMBL13114885 0.76 CHRM2 (0.46) ALDH1A1KDM4ELMNACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed