SCHEMBL10892276

SCHEMBL10892276

COCCOCCNc1ccc(C2=NNC(=O)NC2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.40
▸ PDE3A Q14432 7/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ OPRK1 P41145 8/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10890098 0.93 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10887567 0.80 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10889753 0.79 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10888142 0.78 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10885829 0.75 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL22288538 0.75 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL30966660 0.75 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL30800855 0.75 ABCB11 (0.49) OPRK1OPRM1ABCB11CYP3A4ADRA2B
SCHEMBL10884707 0.74 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10849499 0.74 HPGD (0.48) PDE3BPDE3APDE4APDE4BPDE4C

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
US-4616015-A HYPOTENSIVE AGENT, ANTULCER AGENT, ANTICOAGULANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-07 — — US disclosed
EP-0122627-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 — — EP disclosed
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