SCHEMBL11163401

SCHEMBL11163401

CC1CC(=O)NN=C1c1ccc(NC(=O)Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.65
▸ PDE3A Q14432 14/20 0.65
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TNNC1 P63316 1/20 0.51
▸ GPR119 Q8TDV5 2/20 0.48
▸ PDE4A P27815 2/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ PDE4C Q08493 2/20 0.45
▸ PDE4D Q08499 2/20 0.45

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
SCHEMBL11175176 0.90 PDE3B (0.66) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL11162328 0.89 PDE3B (0.65) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL11162969 0.89 PDE3B (0.67) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL11171310 0.87 PDE3B (0.61) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL11167091 0.86 PDE3B (0.60) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL11165831 0.85 PDE3B (0.61) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL11165047 0.84 PDE3B (0.77) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL10473610 0.84 PDE3B (0.69) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL11571863 0.81 PDE3B (0.71) PDE3BPDE3AMAPTTNNC1GPR119
SCHEMBL16157007 0.81 PDE3B (0.71) PDE3BPDE3AMAPTTNNC1GPR119

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-4415571-A HYPOTENSIVE AGENTS; THROMBOSIS; ANTICOAGULANTS; CARDIOVASCULAR DISORDDERS BASF AKTIENGESELLSCHAFT (DE) 1983-11-15 — — US disclosed
EP-0042513-A1 Dihydropyridazinones, processes for their preparation and pharmaceutical compositions containing these compounds BASF Aktiengesellschaft (DE) 1981-12-30 — — EP disclosed
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