SCHEMBL6036253

SCHEMBL6036253

O=C(ON1CCC(c2ccc(Cl)cc2Cl)CC1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
EPHX2 P34913 2/20 0.41
RBP4 P02753 3/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
AGTR1 P30556 1/20 0.40
DPP4 P27487 2/20 0.39
CHRM4 P08173 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
SLC9A1 P19634 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5671635 0.88 GRM5 (0.49) GRM5RBP4PROKR1
SCHEMBL3544759 0.82 RBP4 (0.41) RBP4ALDH1A1
SCHEMBL3540773 0.77 RBP4 (0.40) RBP4
SCHEMBL3546222 0.76 RBP4 (0.40) RBP4ALDH1A1
SCHEMBL4786221 0.75 CNR1 (0.56) GRM5KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL28844354 0.75 RBP4 (0.47) RBP4PROKR1SLC9A1
SCHEMBL3544775 0.74 HTR1A (0.40) RBP4KDM4EALDH1A1HPGD
Bicarbonate SCHEMBL17644450 0.73 TSHR (0.49) GRM5GAATSHRAGTR1DPP4
Trifluoroacetic Acid SCHEMBL5669615 0.73 DPP4 (0.43) GRM5DPP4
SCHEMBL28766839 0.73 MAPT (0.40) RBP4CHRM4ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648868-B1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS CELLTECH R&D LTD (GB) 2006-11-15 EP disclosed
EP-1648868-A1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS Celltech R & D Limited (GB) 2006-04-26 EP disclosed
WO-2004113298-A1 HYDROXAMATE SULFONAMIDES AS CD23 SHEDDING INHIBITORS CELLTECH R & D LIMITED (GB) 2004-12-29 WO disclosed