SCHEMBL7122129

SCHEMBL7122129

[CH](CCC1CCCCN1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL7129869 0.95 CYP2D6 (0.34) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL7128345 0.85
SCHEMBL9385736 0.76 CYP1A2 (0.34) CYP1A2SIGMAR1
SCHEMBL7349463 0.73 KMT2A (0.46) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL21556543 0.73 CYP2D6 (0.46) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL5062322 0.72 CYP2D6 (0.44) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL6413011 0.70 KMT2A (0.41) CYP2D6KMT2AMEN1LMNATP53
Piperazine SCHEMBL28112800 0.69 FDPS (0.42) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL10568036 0.69 HRH3 (0.42) CYP2D6KMT2AMEN1LMNATP53
SCHEMBL9109449 0.69 CYP2D6 (0.42) CYP2D6KMT2AMEN1LMNATP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 EP disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO disclosed