SCHEMBL4660261

SCHEMBL4660261

CC(=O)NCC(=O)Oc1ccc(CO)cc1CCCc1cccc(N(C(C)C)C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.40
MTNR1A P48039 10/20 0.36
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL1158253 0.86 CHRM2 (0.45) MTNR1BCHRM2CHRM1
SCHEMBL7755059 0.85 ELANE (0.44) CHRM2CHRM1
SCHEMBL4661559 0.85 ALOX15 (0.41) MTNR1ACHRM2CHRM1
SCHEMBL11297469 0.85 CHRM2 (0.35) MTNR1BMTNR1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL16166428 0.85 CHRM2 (0.45) MTNR1BCHRM2CHRM1
SCHEMBL4659041 0.83 CHRM2 (0.39) CHRM2CHRM1
SCHEMBL4660356 0.82 ESR1 (0.35) CHRM2CHRM1
SCHEMBL4660298 0.81 PTGS2 (0.44) CHRM2CHRM1
SCHEMBL4660393 0.81 MEN1 (0.36) CHRM2CHRM1
SCHEMBL4659042 0.81 MAPT (0.35) CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004592-A1 SYNTHESIS OF PHENOLIC ESTERS OF HYDROXYMETHYL PHENOLS Schwarz Pharma Ltd. (IE) 2008-12-24 EP disclosed
WO-2007140986-A1 SYNTHESIS OF PHENOLIC ESTERS OF HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD (IE) 2007-12-13 WO disclosed
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