SCHEMBL27650583

SCHEMBL27650583

O=C(C[CH]Cc1ccccc1F)N1CC(COc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
KCNH2 Q12809 5/20 0.39
MAPT P10636 1/20 0.39
MAOB P27338 3/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
SCN3A Q9NY46 6/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CHRNA7 P36544 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8289061 0.78 DPP4 (0.55)
SCHEMBL4956540 0.78 DPP4 (0.55)
SCHEMBL14282788 0.75 DPP4 (0.39) KCNH2MAPTCHRNA7
SCHEMBL796697 0.73 MEN1 (0.49) PARP15PARP10CHRNA7
SCHEMBL8289132 0.70 CTSS (0.46) SCN9ASCN10A
SCHEMBL17560097 0.67 GLA (0.42) MAOBPARP15PARP14PARP10CHRNA7
SCHEMBL7973733 0.66 GRIN2D (0.53) PARP15PARP10
SCHEMBL796329 0.65 NAMPT (0.54) PKMCHRNA7
SCHEMBL796332 0.65 GRIN2D (0.55) PARP15PARP10
SCHEMBL14318704 0.64 CHRNA7 (0.44) CHRNA7

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
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed