SCHEMBL16298486

SCHEMBL16298486

CCN1C(=O)c2c(ncn2Cc2ccccc2)N2C1=NCC2C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 13/20 0.52
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP11B2 P19099 1/20 0.40
▸ PDE4A P27815 1/20 0.40

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
SCHEMBL16312793 0.79 PDE5A (0.55) PDE5AALDH1A1TSHRPDE4A
SCHEMBL16298420 0.78 TSHR (0.50) PDE5AALDH1A1TSHRCYP11B2PDE4A
SCHEMBL235836 0.77 ALDH1A1 (0.54) PDE5AALDH1A1TSHRCYP11B2PDE4A
SCHEMBL16298468 0.76 PDE5A (0.62) PDE5AALDH1A1TSHRPDE4A
SCHEMBL234537 0.71 PDE5A (0.65) PDE5AALDH1A1TSHR
SCHEMBL717262 0.71 PDE5A (0.68) PDE5A
SCHEMBL234538 0.71 PDE5A (0.65) PDE5AALDH1A1TSHR
SCHEMBL717261 0.71 PDE5A (0.68) PDE5A
SCHEMBL16298422 0.69 TSHR (0.50) PDE5AALDH1A1TSHRCYP11B2
SCHEMBL11877884 0.69 ALDH1A1 (0.49) ALDH1A1TSHR

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-1421084-B1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORP (US) 2008-05-14 — — EP disclosed
WO-2003020724-A1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORPORATION (US) 2003-03-13 — — WO disclosed
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