SCHEMBL6631440

SCHEMBL6631440

CCN1C(=O)c2[nH]cnc2N2CCN=C12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 3/20 0.35
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
PDE5A O76074 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 3/20 0.32
ADORA2B P29275 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL9585832 0.82 PDE4A (0.36) LMNAPOLBTSHRPDE4APDE4B
SCHEMBL11089172 0.78 ADORA2A (0.36) LMNATSHRPDE4APDE4BPDE4C
SCHEMBL9018625 0.76 ALDH1A1 (0.32) LMNAPOLBTSHRPDE4APDE4B
SCHEMBL16298438 0.69 PDE5A (0.68) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL16298470 0.69 PDE5A (0.64) PDE5A
SCHEMBL8133177 0.68 PDE4A (0.59) LMNATSHRPDE4APDE4BPDE4C
SCHEMBL11804290 0.67 TSHR (0.47) LMNAPOLBTSHRMEN1KMT2A
SCHEMBL10800120 0.65 MEN1 (0.49) LMNATSHRPDE4APDE4BPDE4C
SCHEMBL10811499 0.61 GDA (0.38)
SCHEMBL11066311 0.59 HTT (0.51) LMNAPOLBTSHRKMT2AALDH1A1

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-A1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS Schering Corporation (US) 2004-05-26 EP disclosed
WO-2003020724-A1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORPORATION (US) 2003-03-13 WO disclosed