SCHEMBL9561414

SCHEMBL9561414

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)OCCCCCn1cnc2c(O)ncnc21)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.40
▸ NPY1R P25929 6/20 0.40
▸ NPY2R P49146 4/20 0.38
▸ NPY5R Q15761 4/20 0.38
▸ PRMT1 Q99873 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ PRMT7 Q9NVM4 1/20 0.34
▸ ANPEP P15144 1/20 0.33
▸ ADCY5 O95622 3/20 0.33
▸ PRKACA P17612 1/20 0.32
▸ CPB1 P15086 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ FOLH1 Q04609 1/20 0.31

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
SCHEMBL9561462 0.92 CPB1 (0.40) PRMT1PRMT5CARM1WDR77PRMT7
SCHEMBL9561069 0.92 CPB1 (0.40) PRMT1PRMT5CARM1WDR77PRMT7
SCHEMBL9561744 0.91 PRMT5 (0.39) NPY4RNPY1RPRMT1PRMT5CARM1
SCHEMBL9561486 0.91 PRMT5 (0.39) NPY4RNPY1RPRMT1PRMT5CARM1
SCHEMBL8466911 0.90 ADCY5 (0.37) NPY4RNPY1RADCY5PRKACA
SCHEMBL10534213 0.88 NPY4R (0.36) NPY4RNPY1RNPY2RNPY5RPRMT1
SCHEMBL9561407 0.87 HPRT1 (0.39) NPY4RNPY1RNPY2RNPY5R
SCHEMBL8465859 0.82 ADCY5 (0.47) ADCY5PRKACA
SCHEMBL8466600 0.82 ADCY5 (0.47) ADCY5PRKACA
SCHEMBL8466905 0.82 ADCY5 (0.36) ADCY5

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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