SCHEMBL2669448

SCHEMBL2669448

C=C1c2cccc(F)c2C(CCC(=O)Nc2ccc(C(=O)OCc3ccccc3)cn2)N1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.39
PRKAA2 P54646 6/20 0.37
MAPT P10636 2/20 0.36
CXCR1 P25024 1/20 0.36
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
BDKRB1 P46663 1/20 0.35
CHRM4 P08173 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.34
DEGS1 O15121 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
SCHEMBL2644054 0.93 TSHR (0.40) CXCR2PRKAA2MAPTCXCR1TSHR
SCHEMBL2664043 0.83 MAPT (0.40) PRKAA2MAPTTSHR
SCHEMBL2643521 0.82 TSHR (0.41) PRKAA2MAPTTSHRBDKRB1
SCHEMBL2643419 0.82 TSHR (0.41) PRKAA2MAPTTSHRBDKRB1
SCHEMBL2643416 0.82 TSHR (0.41) PRKAA2MAPTTSHRBDKRB1
SCHEMBL2643590 0.81 MAPT (0.40) PRKAA2MAPTTSHR
SCHEMBL2643593 0.81 MAPT (0.40) PRKAA2MAPTTSHR
SCHEMBL2644105 0.79 MAPT (0.46) PRKAA2MAPTTSHRLMNA
SCHEMBL2643618 0.78 MAPT (0.40) MAPTTSHRL3MBTL1LMNADEGS1
SCHEMBL2644546 0.77 WNT3A (0.41) PRKAA2MAPT

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
WO-2007053503-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed