SCHEMBL9700740

SCHEMBL9700740

O=C1Nc2ccc(-n3ccnc3)cc2CO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.64
PDE3A Q14432 8/20 0.64
CRBN Q96SW2 3/20 0.64
TBXAS1 P24557 1/20 0.64
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
TNIK Q9UKE5 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
IDO1 P14902 1/20 0.41
CYP19A1 P11511 1/20 0.41
PDE2A O00408 1/20 0.41
ADH5 P11766 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL9740131 0.84 PDE3B (0.57) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL10463333 0.78 PDE3B (1.00) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9699737 0.78 PSEN1 (0.44) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9700811 0.77 PDE3B (0.43) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9700754 0.76 PDE3B (0.64) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9724606 0.74 CYP11B1 (0.45) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9088237 0.72 PDE3B (0.66) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL9699723 0.71 PDE3B (0.57) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL20777317 0.70 CRBN (1.00) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL30800784 0.70 CRBN (1.00) PDE3BPDE3ACRBNTBXAS1CYP11B1

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-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US claimed
EP-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP claimed
US-5171851-A Cardiac stimulant DONG-A PHARM. CO., LTD. (KR) 1992-12-15 US disclosed
EP-0510235-A1 Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same DONG-A PHARM. CO., LTD. (KR) 1992-10-28 EP disclosed