SCHEMBL10534207

SCHEMBL10534207

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 14/20 0.39
▸ PNP P00491 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.34
▸ CPB1 P15086 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34
▸ NPY4R P50391 3/20 0.34
▸ NPY1R P25929 2/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ NPY5R Q15761 1/20 0.33

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
SCHEMBL9561407 0.89 HPRT1 (0.39) HPRT1PNPNPY4RNPY1RNPY2R
SCHEMBL10534213 0.87 NPY4R (0.36) CPB1CPB2NPY4RNPY1RNPY2R
SCHEMBL9561054 0.86 HPRT1 (0.41) HPRT1PNPSLC15A2CPB1CPB2
SCHEMBL9561455 0.86 HPRT1 (0.41) HPRT1PNPSLC15A2CPB1CPB2
SCHEMBL9561734 0.85 HPRT1 (0.41) HPRT1PNPCPB1CPB2
SCHEMBL9561473 0.85 HPRT1 (0.41) HPRT1PNPCPB1CPB2
SCHEMBL9561031 0.85 HPRT1 (0.43) HPRT1PNP
SCHEMBL9561433 0.84 HPRT1 (0.45) HPRT1PNP
SCHEMBL8465859 0.81 ADCY5 (0.47) —
SCHEMBL8466600 0.81 ADCY5 (0.47) —

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
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
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