SCHEMBL670196

SCHEMBL670196

COc1cccc2ccc(OCCCCl)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
MTNR1A P48039 9/20 0.44
MTNR1B P49286 8/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
NQO1 P15559 1/20 0.43
KCNA3 P22001 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
PPARG P37231 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15772575 0.89 MTNR1A (0.50) MAPK1MTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL15773033 0.86 MTNR1A (0.50) MAPK1MTNR1AMTNR1BSLC6A2SLC6A4
SCHEMBL15772597 0.83 MTNR1A (0.49) MTNR1ANQO1SMN1; SMN2MAPT
SCHEMBL20460323 0.81 DHFR (0.50) MTNR1AMTNR1BPPARG
SCHEMBL30088510 0.80 CYP1A2 (0.57) MTNR1ANQO1SMN1; SMN2MAPT
SCHEMBL443625 0.80 CYP1A2 (0.57) MTNR1ANQO1SMN1; SMN2MAPT
SCHEMBL10604096 0.80 KCNA3 (0.54) MTNR1ASLC6A4HTR1AHTR1DHTR1B
SCHEMBL7562100 0.78 NQO1 (0.37) MAPK1MTNR1AMTNR1BHTR1AHTR1D
SCHEMBL12968019 0.77 HTR1B (0.51) MTNR1AMTNR1BHTR1DHTR1BKCNA3
SCHEMBL28792251 0.77 MTNR1A (0.56) MTNR1AMTNR1B

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-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed