SCHEMBL7914604

SCHEMBL7914604

O=C(O)C1CCN(c2nnc(NCc3ccc4c(c3)OCO4)c3cnccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.57
PDE4B Q07343 2/20 0.57
PDE4C Q08493 2/20 0.57
PDE4D Q08499 2/20 0.57
KDM4E B2RXH2 2/20 0.50
PDE5A O76074 7/20 0.49
PDE2A O00408 1/20 0.49
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
FLT1 P17948 1/20 0.45
KDR P35968 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 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
SCHEMBL7918152 0.97 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7913140 0.89 PDE5A (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6594377 0.86 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7904532 0.85 KDM4E (0.46) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7904575 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6594486 0.83 PDE5A (0.63) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6597081 0.76 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL6606090 0.75 PDE5A (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7911667 0.74 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6592174 0.73 PDE5A (0.58) PDE4APDE4BPDE4CPDE4DPDE5A

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-6218392-B1 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, MYOCARDIAL INFARCT AND CHRONIC AND ACUTE CARDIAC FAILURE, PULMONARY HYPERTENSION, ARTERIOSCLEROSIS AND BRONCHIAL ASTHMA EISAI CO., LTD. (JP) 2001-04-17 US disclosed
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 EP disclosed