SCHEMBL10849673

SCHEMBL10849673

CCC(C)C(C)C(=O)Nc1ccc(C2=NNC(=O)NC2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.45
▸ PDE3A Q14432 7/20 0.45
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CIT O14578 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CA1 P00915 3/20 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
SCHEMBL10852124 0.86 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10887686 0.84 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10885868 0.83 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10888365 0.81 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10886403 0.80 PDE3B (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10636413 0.79 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10890339 0.79 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10639060 0.79 TP53 (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10890341 0.78 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10890051 0.78 TAAR1 (0.46) 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-4618610-A Triazine derivatives, and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 — — US disclosed
EP-0123254-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 — — EP disclosed
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