SCHEMBL10522346

SCHEMBL10522346

Cn1cnc2c1c(=O)n(CCCCC(=O)CBr)c(=O)n2C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.76
▸ TNF P01375 4/20 0.76
▸ LMNA P02545 2/20 0.76
▸ CYP1A2 P05177 2/20 0.76
▸ NFKB1 P19838 2/20 0.76
▸ ACHE P22303 2/20 0.76
▸ PDE4A P27815 2/20 0.76
▸ PMP22 Q01453 2/20 0.76
▸ USP2 O75604 1/20 0.76
▸ TSHR P16473 1/20 0.76
▸ PDE4B Q07343 1/20 0.76
▸ PDE4C Q08493 1/20 0.76
▸ PDE4D Q08499 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ RXFP1 Q9HBX9 1/20 0.76
▸ BLM P54132 2/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ AKR1B1 P15121 1/20 0.56
▸ CHIT1 Q13231 1/20 0.56

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
SCHEMBL10521493 0.96 ADORA2B (0.70) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL9123779 0.90 ADORA2B (0.79) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL16730548 0.89 ADORA2B (0.77) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL8002916 0.88 ADORA2B (0.76) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL9123285 0.87 ADORA2B (0.74) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL9122988 0.87 ADORA2B (0.74) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL9122781 0.87 ADORA2B (0.74) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL9123835 0.87 ADORA2B (0.74) ADORA2BTNFLMNACYP1A2NFKB1
SCHEMBL8686059 0.87 ADORA2B (0.74) ADORA2BTNFLMNACYP1A2NFKB1
Pentoxifylline SCHEMBL3986204 0.86 ADORA2B (1.00) ADORA2BTNFLMNACYP1A2NFKB1

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-0198190-B1 COMPOUNDS HAVING ANTIPLATELET AGGREGATION ACTIVITY, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1989-05-31 — — EP disclosed
US-4737502-A DIMETHYLXANTHINYL-SUBSTITUTED 4,5,6,7-TETRAHYDROTHIENO(3,2-C)P PYRIDINES ELLEM INDUSTRIA FARMACEUTICA S.P.A. (IT) 1988-04-12 — — US disclosed
EP-0199190-A2 Separating element for separating solid particles, suspended in a gaseous current, by centrifugal force in a cylindrical whirl chamber Anton Piller GmbH & Co. KG (DE) 1986-10-29 — — EP disclosed
EP-0198190-A2 Compounds having antiplatelet aggregation activity, a process for the preparation thereof and pharmaceutical compositions containing them ELLEM INDUSTRIA FARMACEUTICA S.p.A. (IT) 1986-10-22 — — EP disclosed
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