SCHEMBL17896290

SCHEMBL17896290

OCCN(CCO)c1nc(N(CCO)CCO)c2nc(N3CCCCC3)nc(N3CCCCC3)c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 18/20 0.72
▸ ADORA3 P0DMS8 2/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ CYP2C19 P33261 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ PDE2A O00408 1/20 0.72
▸ RGS12 O14924 1/20 0.72
▸ SLC22A2 O15244 1/20 0.72
▸ SLC22A1 O15245 1/20 0.72
▸ ABCC4 O15439 1/20 0.72
▸ ABCC5 O15440 1/20 0.72
▸ PDE6D O43924 1/20 0.72
▸ PDE8A O60658 1/20 0.72
▸ GMNN O75496 1/20 0.72
▸ USP2 O75604 1/20 0.72
▸ PDE5A O76074 1/20 0.72
▸ ABCB11 O95342 1/20 0.72

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
SCHEMBL5055565 0.92 SLC29A1 (0.86) SLC29A1ADORA3MEN1CYP3A4CYP2C9
SCHEMBL5055315 0.92 SLC29A1 (0.86) SLC29A1ADORA3MEN1CYP3A4CYP2C9
SCHEMBL29973155 0.92 SLC29A1 (0.86) SLC29A1ADORA3MEN1CYP3A4CYP2C9
Dipyridamole SCHEMBL16119 0.85 SLC29A1 (1.00) SLC29A1ADORA3MEN1CYP3A4CYP2C9
SCHEMBL30416820 0.85 SLC29A1 (1.00) SLC29A1ADORA3MEN1CYP3A4CYP2C9
SCHEMBL29541182 0.85 SLC29A1 (0.54) SLC29A1ADORA3MEN1CYP3A4CYP2C9
Dipyridamole SCHEMBL29381078 0.85 SLC29A1 (1.00) SLC29A1ADORA3MEN1CYP3A4CYP2C9
Dipyridamole SCHEMBL3980595 0.85 SLC29A1 (1.00) SLC29A1ADORA3MEN1CYP3A4CYP2C9
Dipyridamole SCHEMBL7998210 0.83 SLC29A1 (0.97) SLC29A1ADORA3MEN1CYP3A4CYP2C9
Dipyridamole SCHEMBL9743915 0.83 SLC29A1 (0.97) SLC29A1ADORA3MEN1CYP3A4CYP2C9

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
US-9381197-B2 Processes for the preparation of dipyridamole GENERICS [UK] LIMITED (GB) 2016-07-05 — — US disclosed
US-9381197-B2 Processes for the preparation of dipyridamole GENERICS [UK] LIMITED (GB) 2016-07-05 — — US disclosed
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