SCHEMBL9561054

SCHEMBL9561054

NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)OCCCCCn1cnc2c(=O)[nH]cnc21)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 17/20 0.41
▸ PNP P00491 1/20 0.41
▸ CPB1 P15086 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.34

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
SCHEMBL9561455 1.00 HPRT1 (0.41) HPRT1PNPCPB1CPB2SLC15A2
SCHEMBL9561734 0.96 HPRT1 (0.41) HPRT1PNPCPB1CPB2
SCHEMBL9561473 0.96 HPRT1 (0.41) HPRT1PNPCPB1CPB2
SCHEMBL9561407 0.92 HPRT1 (0.39) HPRT1PNP
SCHEMBL9561462 0.87 CPB1 (0.40) CPB1CPB2
SCHEMBL9561069 0.87 CPB1 (0.40) CPB1CPB2
SCHEMBL10534207 0.86 HPRT1 (0.39) HPRT1PNPCPB1CPB2SLC15A2
SCHEMBL9561744 0.83 PRMT5 (0.39) CPB1CPB2
SCHEMBL9561486 0.83 PRMT5 (0.39) CPB1CPB2
SCHEMBL9561414 0.79 NPY4R (0.40) CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346460-B1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION (IT) 1993-03-10 — — EP claimed
EP-0346460-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION. CO PHARMA CORP SRL (IT) 1989-12-20 — — EP claimed
WO-1989005818-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION S.R.L. (IT) 1989-06-29 — — WO claimed
EP-0346460-B1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION (IT) 1993-03-10 — — EP disclosed
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