SCHEMBL8799430

SCHEMBL8799430

CN1C(=O)c2c(ncn2Cc2ccccc2)N2C1=NC1c3ccccc3CC12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PDE5A O76074 15/20 0.45
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41

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
SCHEMBL715169 1.00 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL715170 1.00 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL16626181 0.85 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL16626183 0.85 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL715382 0.85 ALDH1A1 (0.49) ALDH1A1TSHRPDE5APDE4APDE4B
SCHEMBL7440439 0.81 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL193092 0.81 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237742 0.81 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL193091 0.81 PDE5A (0.67) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237741 0.81 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D

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
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 — — EP claimed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 — — US disclosed
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