SCHEMBL3249134

SCHEMBL3249134

Fc1ccccc1-c1ccc(OCCCc2ccccn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.42
ELOVL1 Q9BW60 1/20 0.41
CHRNA7 P36544 1/20 0.40
GRM5 P41594 2/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
HIF1A Q16665 1/20 0.39
LTB4R Q15722 1/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3241833 0.85 GRM5 (0.48) CHRNA7GRM5
SCHEMBL3241858 0.81 ELOVL1 (0.49) HRH1ELOVL1CYP3A4CYP2D6CYP2C9
SCHEMBL3247916 0.77 LTA4H (0.44) HRH1ELOVL1CYP3A4CYP2D6CYP2C9
SCHEMBL3244498 0.77 RAB9A (0.49) OXTRCYP3A4CYP2D6CYP2C9
SCHEMBL6792817 0.75 HRH1 (0.50) HRH1CYP3A4CYP2D6CYP2C9CA12
SCHEMBL3242005 0.74 CYP1A2 (0.58) CHRNA7HIF1ACYP1A2HRH3
SCHEMBL3241892 0.72 SMN1; SMN2 (0.40) HRH1ELOVL1GRM5CYP3A4CYP2D6
SCHEMBL1422442 0.71 EPHB4 (0.55) AVPR2OXTRAVPR1ASMN1; SMN2GCK
SCHEMBL6787331 0.70 POLB (0.57) HRH1
SCHEMBL17461638 0.69 HIF1A (0.45) GRM5ALOX5APFEN1HIF1AAVPR2

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