SCHEMBL3241833

SCHEMBL3241833

Fc1ccccc1-c1ccc(OCc2ccccn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.48
SYK P43405 6/20 0.47
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
CHRNA7 P36544 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL3249134 0.85 HRH1 (0.42) GRM5CHRNA7
SCHEMBL3249369 0.82 SYK (0.64) GRM5SYKAURKBINCENPCHRNA7
SCHEMBL3245556 0.80 KDM4E (0.47) GRM5SYKAURKBINCENPHTR2C
SCHEMBL23406003 0.80 GRM5 (0.48) GRM5SYKAURKBINCENPHTR2C
SCHEMBL29744012 0.80 GRM5 (0.48) GRM5SYKAURKBINCENPHTR2C
SCHEMBL1422442 0.74 EPHB4 (0.55)
SCHEMBL13661860 0.73 SYK (0.54) GRM5SYKAURKBINCENPHTR2C
SCHEMBL4235232 0.73 SYK (0.54) GRM5SYKHTR2C
SCHEMBL30716906 0.73 SYK (0.54) GRM5SYKHTR2C
SCHEMBL11354880 0.73 SMN1; SMN2 (0.51) GRM5SYKAURKBINCENP

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed