SCHEMBL17082355

SCHEMBL17082355

O=C(Oc1ccc(CO)cc1)N1CC(Oc2ccc(Br)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ LIPE Q05469 9/20 0.39
▸ CHRNA7 P36544 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ FAAH O00519 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 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
SCHEMBL14979618 0.86 CYP1A2 (0.43) DGAT1MCHR1LIPECHRNA7GPR119
SCHEMBL17082348 0.84 CHRNA7 (0.41) DGAT1MCHR1LIPECHRNA7GPR119
SCHEMBL518294 0.83 FAAH (0.46) FAAH
SCHEMBL13691949 0.83 LIPE (0.38) DGAT1MCHR1LIPECHRNA7GPR119
SCHEMBL15525341 0.75 DGAT1 (0.57) DGAT1GPR119
SCHEMBL31401120 0.75 DGAT1 (0.57) DGAT1GPR119
SCHEMBL14979619 0.73 FAAH (0.51) MCHR1LIPECHRNA7GPR119BCHE
SCHEMBL17082354 0.71 FAAH (0.49) MCHR1LIPEGPR119BCHEFAAH
SCHEMBL25354847 0.71 LTA4H (0.46) LIPEACACBKDM4ETSHR
SCHEMBL16866583 0.70 FAAH (0.48) MCHR1LIPEGPR119BCHEFAAH

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-2265578-B1 AZETIDINE DERIVATIVES VERNALIS R&D LTD (GB) 2015-09-16 — — EP disclosed
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