SCHEMBL9561031

SCHEMBL9561031

N=C(N)NCCCC(NC(=O)OCCOCCn1cnc2c(=O)[nH]cnc21)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 19/20 0.43
▸ PNP P00491 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
SCHEMBL9561433 0.89 HPRT1 (0.45) HPRT1PNP
SCHEMBL9561047 0.85 ADCY5 (0.35) —
SCHEMBL10534207 0.85 HPRT1 (0.39) HPRT1PNP
SCHEMBL9561407 0.82 HPRT1 (0.39) HPRT1PNP
SCHEMBL8465859 0.78 ADCY5 (0.47) —
SCHEMBL8466600 0.78 ADCY5 (0.47) —
SCHEMBL29769282 0.77 HPRT1 (0.45) HPRT1PNP
SCHEMBL8466911 0.76 ADCY5 (0.37) —
SCHEMBL8464129 0.76 CYP1A2 (0.42) —
SCHEMBL9001206 0.76 MAPT (0.36) PNP

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