SCHEMBL6977901

SCHEMBL6977901

O=C(O)CNC(=O)C1(c2ccc(Cl)cc2)OCC(c2ccccc2)(c2ccccc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
MME P08473 1/20 0.39
WDR91 A4D1P6 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
METAP2 P50579 1/20 0.35
P2RX7 Q99572 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL6983068 0.85 PPID (0.46) MEN1KMT2AALDH1A1MAPT
SCHEMBL6967893 0.81 CNR1 (0.40) CNR1KMT2AALDH1A1MAPT
SCHEMBL377756 0.76 MAPK1 (0.40) CNR1WDR91KMT2AALDH1A1
SCHEMBL6970913 0.75 OPRM1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6982434 0.75 ALDH1A1 (0.44) CNR1KMT2AALDH1A1MAPTEPHX2
SCHEMBL6981777 0.71 AKR1C1 (0.41) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6975695 0.70 POLB (0.38) MEN1KMT2AALDH1A1
SCHEMBL25362579 0.69 KDM4E (0.50) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6981407 0.69 CNR1 (0.37) CNR1ALDH1A1
SCHEMBL6977165 0.69 OPRM1 (0.38) MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098893-B1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed