SCHEMBL11205511

SCHEMBL11205511

C1=CN2Cc3ccccc3N=C2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 7/20 0.39
BCHE P06276 4/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSD P07339 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CCR3 P51677 3/20 0.33

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
SCHEMBL7349857 0.67 PDE3B (0.45) PDE3BPDE3ANPC1HPGDRAB9A
SCHEMBL29766889 0.67 NPC1 (0.41) PDE3BPDE3ANPC1HPGDRAB9A
SCHEMBL5188925 0.67 NPC1 (0.41) PDE3BPDE3ANPC1HPGDRAB9A
SCHEMBL10767417 0.67 HPGD (0.41) PDE3BPDE3ANPC1HPGDRAB9A
SCHEMBL10376168 0.66 PDE3B (0.55) PDE3BPDE3ASIGMAR1ACHEBCHE
Hydrochloric Acid SCHEMBL30528596 0.66 NPC1 (0.44) PDE3BPDE3ANPC1HPGDRAB9A
SCHEMBL6738853 0.66 NPC1 (0.40) PDE3BPDE3ANPC1HPGDRAB9A
SCHEMBL11497896 0.64 NPC1 (0.42) PDE3BPDE3ANPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL11522942 0.64 PDE3B (0.54) PDE3BPDE3ASIGMAR1ACHEBCHE
SCHEMBL1570768 0.64 PDE3B (1.00) PDE3BPDE3AMEN1KMT2A

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-4372956-A CARDIOTONIC AGENTS, VASODILATION SANDOZ LTD. (CH) 1983-02-08 US disclosed
EP-0029559-A2 5,10-dihydroimidazo(2,1-b)quinazolines, their production and pharmaceutical compositions containing them SANDOZ AG (CH) 1981-06-03 EP disclosed