SCHEMBL9370975

SCHEMBL9370975

O=C(O)CCCOc1ccc2[nH]c(=O)cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.55
PDE3A Q14432 12/20 0.55
P2RY12 Q9H244 9/20 0.55
PDE2A O00408 5/20 0.55
MAPKAPK2 P49137 1/20 0.48
RPS6KA3 P51812 1/20 0.48
CSNK2A1 P68400 1/20 0.48
PLK3 Q9H4B4 1/20 0.48
ALDH1A1 P00352 1/20 0.44
MMP13 P45452 1/20 0.43
SERPINE1 P05121 1/20 0.43
CNR1 P21554 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 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
SCHEMBL9369166 0.96 PDE3B (0.56) PDE3BPDE3AP2RY12PDE2AMAPKAPK2
SCHEMBL9368603 0.84 PDE3B (0.59) PDE3BPDE3AP2RY12PDE2AMAPKAPK2
SCHEMBL9372308 0.79 PDE3B (0.55) PDE3BPDE3AP2RY12PDE2AMMP13
SCHEMBL5630679 0.78 PDE3B (0.60) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL9618679 0.77 PDE3B (0.72) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL9618678 0.77 PDE3B (0.48) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL20140219 0.77 PDE3B (0.55) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL9686132 0.76 PDE3B (0.57) PDE3BPDE3AP2RY12PDE2AALDH1A1
SCHEMBL14816305 0.75 MAPKAPK2 (0.50) PDE3BPDE3AP2RY12PDE2AMAPKAPK2
SCHEMBL9371196 0.75 PDE3B (0.56) PDE3BPDE3AP2RY12PDE2ASERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311378-B1 6-Substituted alkoxy-2-oxo-1, 2-dihydroquinoxaline derivatives ASAHI CHEMICAL IND (JP) 1994-04-27 EP disclosed
US-4870175-A ANTICOAGULANTS, CYCLIC ADENOSINE MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS TOYO JOZO KABUSHIKI KAISHA (JP) 1989-09-26 US disclosed
EP-0311378-A2 6-Substituted alkoxy-2-oxo-1, 2-dihydroquinoxaline derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-04-12 EP disclosed