SCHEMBL27768482

SCHEMBL27768482

O=C(O)C1Cc2c(cccc2OCCCc2ccccc2)N1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 5/20 0.51
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.43
SCN9A Q15858 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
LMNA P02545 1/20 0.40
FFAR1 O14842 1/20 0.39
DRD4 P21917 1/20 0.39
HPGD P15428 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP12 P39900 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
SCHEMBL27790051 0.96 S1PR5 (0.47) S1PR5GAAMAPTIDO1SCN9A
SCHEMBL13229755 0.94 S1PR5 (0.53) S1PR5GAAMAPTIDO1DRD2
SCHEMBL12628272 0.86 BRD4 (0.49) GAAMAPTDRD2DRD3
Benzene SCHEMBL27790053 0.85 DRD2 (0.47) S1PR5GAAMAPTDRD2DRD3
Benzene SCHEMBL27768484 0.84 MAPT (0.46) S1PR5GAAMAPTDRD2DRD3
SCHEMBL27768522 0.81 MAPT (0.49) GAAMAPT
SCHEMBL7669208 0.81 GAA (0.48) GAAMAPTDRD2DRD3HPGD
SCHEMBL7669210 0.81 GAA (0.48) GAAMAPTDRD2DRD3HPGD
1,2-Dimethoxybenzene SCHEMBL27572044 0.77 GAA (0.53) GAAMAPTDRD2DRD3HPGD
SCHEMBL28784684 0.75 MAPT (0.48) GAAMAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed