SCHEMBL10888967

SCHEMBL10888967

CC1NC(=O)NN=C1c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 9/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ PDE3B Q13370 4/20 0.43
▸ PDE3A Q14432 4/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ GRK6 P43250 1/20 0.39

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
SCHEMBL10887128 0.84 PDE3B (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10889047 0.81 PDE3B (0.52) ALDH1A1PDE3BPDE3APDE4APDE4B
SCHEMBL10368593 0.81 PDE3B (0.62) ALDH1A1PDE3BPDE3APDE4APDE4B
SCHEMBL16157003 0.81 PDE3B (0.62) ALDH1A1PDE3BPDE3APDE4APDE4B
SCHEMBL17446935 0.79 PDE3B (0.48) AKR1C3ALDH1A1PDE3BPDE3APDE4A
SCHEMBL16157010 0.78 PDE3B (0.61) ALDH1A1PDE3BPDE3APDE4APDE4B
SCHEMBL10891315 0.76 PDE3B (0.67) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7295733 0.74 PDE3B (0.52) ALDH1A1PDE3BPDE3APDE4APDE4B
SCHEMBL10887841 0.74 PDE3B (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10886219 0.73 APP (0.56) ALDH1A1PDE3BPDE3APDE4APDE4B

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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