SCHEMBL7274554

SCHEMBL7274554

CCOC(=O)N1CCN(c2ccc(C3=NNC(=O)CC3C)cc2C#N)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.65
PDE3B Q13370 15/20 0.52
PDE3A Q14432 15/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
GFER P55789 1/20 0.49
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
TNNC1 P63316 1/20 0.43

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
SCHEMBL10475037 0.88 GPR119 (0.68) GPR119PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7267828 0.88 GPR119 (0.68) GPR119PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7274638 0.87 GPR119 (0.67) GPR119PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7276577 0.84 PDE3B (0.51) GPR119PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7266897 0.84 GPR119 (0.65) GPR119PDE3BPDE3AKDM4EALDH1A1
SCHEMBL7268118 0.83 PDE3B (0.46) GPR119PDE3BPDE3AALDH1A1MAPT
SCHEMBL7266588 0.81 GPR119 (0.59) GPR119PDE3BPDE3APDE4APDE4B
SCHEMBL2591658 0.79 GPR119 (1.00) GPR119
SCHEMBL7274513 0.77 PDE3B (0.67) GPR119PDE3BPDE3AKDM4EALDH1A1
SCHEMBL16156994 0.73 PDE3B (0.72) GPR119PDE3BPDE3AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954501-A INOTROPIC AGENTS HEUMANN PHARMA GMBH & CO. (DE) 1990-09-04 US claimed
EP-0327800-B1 6-PHENYLDIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS HEUMANN PHARMA GMBH & CO (DE) 1992-05-27 EP disclosed
US-4954501-A INOTROPIC AGENTS HEUMANN PHARMA GMBH & CO. (DE) 1990-09-04 US disclosed
EP-0327800-A2 6-Phenyldihydro-3(2H)-pyridazinones, process for their preparation and medicines containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1989-08-16 EP disclosed