SCHEMBL9561407

SCHEMBL9561407

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 14/20 0.39
▸ PNP P00491 1/20 0.39
▸ NPY4R P50391 5/20 0.37
▸ NPY1R P25929 3/20 0.37
▸ NPY2R P49146 2/20 0.35
▸ NPY5R Q15761 2/20 0.35

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 0.92 HPRT1 (0.41) HPRT1PNP
SCHEMBL9561054 0.92 HPRT1 (0.41) HPRT1PNP
SCHEMBL9561734 0.91 HPRT1 (0.41) HPRT1PNP
SCHEMBL9561473 0.91 HPRT1 (0.41) HPRT1PNP
SCHEMBL10534207 0.89 HPRT1 (0.39) HPRT1PNPNPY4RNPY1RNPY2R
SCHEMBL9561414 0.87 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9561031 0.82 HPRT1 (0.43) HPRT1PNP
SCHEMBL9561433 0.81 HPRT1 (0.45) HPRT1PNP
SCHEMBL9561069 0.79 CPB1 (0.40) —
SCHEMBL9561462 0.79 CPB1 (0.40) —

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 6 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
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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