SCHEMBL2904411

SCHEMBL2904411

O=C(NCCO)OC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.44
EPHX1 P07099 4/20 0.43
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
KCNA3 P22001 1/20 0.39
GAA P10253 1/20 0.38
APOL1 O14791 1/20 0.37
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
BCHE P06276 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL8482146 0.87 TDP1 (0.45) CHRM3EPHX1TPSAB1TPSD1TPSG1
SCHEMBL29990844 0.84 EPHX1 (0.50) CHRM3EPHX1TPSAB1TPSD1TPSG1
SCHEMBL24507877 0.83 EPHX1 (0.56) EPHX1TPSAB1TPSD1TPSG1KCNA3
SCHEMBL11751691 0.81 EPHX1 (0.65) EPHX1KCNA3GAATSHRALOX15
SCHEMBL28015769 0.81 EPHX1 (0.40) CHRM3EPHX1TPSAB1TPSD1TPSG1
SCHEMBL4484094 0.81 GAA (0.58) EPHX1KCNA3GAAGNAI3GNAO1
SCHEMBL29991599 0.81 MEN1 (0.46) CHRM3EPHX1TPSAB1TPSD1TPSG1
SCHEMBL29991483 0.80 GNAI3 (0.57) EPHX1GAAGNAI3GNAO1GNAI1
SCHEMBL2897100 0.80 EPHX1 (0.68) CHRM3EPHX1TPSAB1TPSD1TPSG1
SCHEMBL19263958 0.79 EPHX1 (0.45) CHRM3EPHX1TPSAB1TPSD1TPSG1

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-2212288-A1 CRYSTALLINE FORM OF PIPERIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-04 EP disclosed
WO-2009069827-A1 CRYSTALLINE FORM OF PIPERIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-04 WO disclosed