SCHEMBL9561494

SCHEMBL9561494

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 5/20 0.40
▸ ROCK2 O75116 2/20 0.34
▸ PRKACA P17612 2/20 0.34
▸ AKT3 Q9Y243 2/20 0.34
▸ APC P25054 3/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ PTPN1 P18031 3/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ ADORA2A P29274 2/20 0.31
▸ ERAP2 Q6P179 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31
▸ LNPEP Q9UIQ6 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ NOD2 Q9HC29 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
SCHEMBL10896726 0.77 ADCY5 (0.40) ADCY5ADORA2ATAAR1
SCHEMBL10902555 0.77 ADCY5 (0.40) ADCY5ADORA2ATAAR1
SCHEMBL9560980 0.76 MARS1 (0.37) ADCY5PLA2G2A
SCHEMBL8466911 0.75 ADCY5 (0.37) ADCY5PRKACAPLA2G2AADORA2A
SCHEMBL10534213 0.73 NPY4R (0.36) ROCK2PRKACAAKT3
SCHEMBL9561486 0.72 PRMT5 (0.39) ADCY5PRKACAPLA2G2A
SCHEMBL11252087 0.72 NOD2 (0.41) APCPTPN1ERAP2ERAP1LNPEP
SCHEMBL9561462 0.72 CPB1 (0.40) ADCY5ROCK2PRKACAAKT3
SCHEMBL9561069 0.72 CPB1 (0.40) ADCY5ROCK2PRKACAAKT3
SCHEMBL9561414 0.72 NPY4R (0.40) ADCY5PRKACA

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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