SCHEMBL7758293

SCHEMBL7758293

CC(=O)Oc1ccc(COC(=O)C(C)(C)C)cc1CCCc1cccc(N(C(C)C)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.38
AKT1 P31749 1/20 0.37
MTNR1A P48039 2/20 0.32
MTNR1B P49286 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 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
PPARA Q07869 2/20 0.32
PPARD Q03181 1/20 0.32
PPARG P37231 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL3772824 0.87 ADRB2 (0.40) AKT1MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL7755059 0.85 ELANE (0.44) ELANECHRM2CHRM1ADRB2PPARA
SCHEMBL7758290 0.85 ELANE (0.42) ELANEAKT1CHRM2CHRM1PPARA
SCHEMBL7755007 0.85 ADRB2 (0.41) AKT1MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL7755565 0.82 SLC6A2 (0.41) ADRB2KDM4EALDH1A1
SCHEMBL7755603 0.82 ALOX15 (0.40) MTNR1AADRB2ADRA2ADRD2ADRA2C
SCHEMBL11296010 0.80 ALDH1A1 (0.38) MTNR1AMTNR1BALDH1A1
SCHEMBL1158253 0.80 CHRM2 (0.45) AKT1MTNR1BCHRM2CHRM1ADRB2
SCHEMBL4660298 0.80 PTGS2 (0.44) AKT1CHRM2CHRM1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL16166428 0.79 CHRM2 (0.45) AKT1MTNR1BCHRM2CHRM1ADRB2

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