SCHEMBL18511733

SCHEMBL18511733

CCOC(=O)c1ncn(-c2cc(OC)ccc2F)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 11/20 0.51
▸ GABRB3 P28472 11/20 0.51
▸ GABRA5 P31644 11/20 0.51
▸ GABRA2 P47869 4/20 0.48
▸ GABRA1 P14867 3/20 0.48
▸ GABRA3 P34903 3/20 0.48
▸ GABRA6 Q16445 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ EED O75530 2/20 0.47
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ GABRB2 P47870 2/20 0.44
▸ GABRP O00591 1/20 0.44

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
SCHEMBL18490166 0.89 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL18490144 0.89 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL18490143 0.80 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL18490304 0.76 SMN1; SMN2 (0.69) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL18501504 0.75 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL18501503 0.75 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL18490071 0.75 SLC5A1 (0.53) GABRA2SLC5A1SLC5A2GABRB2ALDH1A1
SCHEMBL20286343 0.75 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL20289431 0.74 GAA (0.47) GABRG2GABRB3GABRA5GABRA2GABRA1
SCHEMBL14692520 0.73 PDE4B (0.46) GABRG2GABRB3GABRA5GABRA2GABRA1

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-2017027312-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — WO disclosed
WO-2017027310-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — WO disclosed
WO-2017027309-A1 GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-02-16 — — WO disclosed
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