SCHEMBL7755603

SCHEMBL7755603

CCCC(=O)OCc1ccc(OC(=O)CCC)c(CCCc2cccc(N(C(C)C)C(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
MTNR1A P48039 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
APP P05067 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32
ADRA1A P35348 1/20 0.32
DRD3 P35462 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
SCHEMBL4661559 0.90 ALOX15 (0.41) ALOX15MTNR1AAKR1C3AKR1C2PPARA
SCHEMBL3774216 0.89 AKR1C3 (0.33) AKR1C3AKR1C2FAAHMGLLPTGER1
SCHEMBL7755007 0.86 ADRB2 (0.41) ALOX15MTNR1APTGER1PTGER4PTGER3
SCHEMBL7755600 0.85 ALOX15 (0.42) ALOX15MTNR1AAKR1C3AKR1C2FAAH
SCHEMBL3772824 0.84 ADRB2 (0.40) ALOX15MTNR1APTGER1PTGER4PTGER3
SCHEMBL7755565 0.83 SLC6A2 (0.41) ADRB2
SCHEMBL7758293 0.82 ELANE (0.38) MTNR1APPARGPPARAADRB2ADRA2A
SCHEMBL15541962 0.82 APP (0.37) FAAHMGLLPTGER1PTGER4PTGER3
SCHEMBL1158253 0.81 CHRM2 (0.45) ALOX15PPARAADRB2ADRA2ADRD2
Hydrochloric Acid SCHEMBL16166428 0.80 CHRM2 (0.45) ALOX15PPARAADRB2ADRA2ADRD2

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-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed