SCHEMBL11859607

SCHEMBL11859607

CCCCCCOc1ccccc1OCC(CN(C)CCn1cnc2c1c(=O)n(CC)c(=O)n2CC)OC(=O)C(=O)OC(COc1ccccc1OCCCCCC)CN(C)CCn1cnc2c1c(=O)n(CC)c(=O)n2CC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNOT7 Q9UIV1 7/20 0.41
▸ PDE4A P27815 3/20 0.40
▸ PDE4B Q07343 3/20 0.40
▸ PDE4C Q08493 3/20 0.40
▸ PDE4D Q08499 3/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ PARN O95453 1/20 0.38
▸ EBP Q15125 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ADORA1 P30542 1/20 0.36

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
Oxalic Acid SCHEMBL11859605 0.88 CNOT7 (0.43) CNOT7PDE4APDE4BPDE4CPDE4D
SCHEMBL11855033 0.79 CNOT7 (0.48) CNOT7PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11852871 0.78 CNOT7 (0.47) CNOT7PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11851840 0.73 CNOT7 (0.48) CNOT7PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11850656 0.72 ADORA1 (0.46) CNOT7PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL11846176 0.72 CNOT7 (0.47) CNOT7PARNKMT2AMEN1RXFP1
Hydrochloric Acid SCHEMBL11852085 0.70 CNOT7 (0.46) CNOT7PARNKMT2AMEN1RXFP1
SCHEMBL11843030 0.69 CNOT7 (0.44) CNOT7PARNKMT2AMEN1RXFP1
Cadaverine Tartrate SCHEMBL11848587 0.67 KMT2A (0.46) CNOT7KMT2AMEN1RXFP1
SCHEMBL5235343 0.67 PDE4A (0.71) CNOT7PDE4APDE4BPDE4CPDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3998953-A 1,3,7-Trisubstitued xanthine peripheral vasodilators BOEHRINGER INGELHEIM GMBH (DT) 1976-12-21 — — US disclosed
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