SCHEMBL9657573

SCHEMBL9657573

Cc1cccc(OCC(O)CNC(C)(C)CNc2ccc(C3=NNC(=O)CC3C)cc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.46
PDE3A Q14432 8/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB2 P07550 5/20 0.41
ADRB1 P08588 5/20 0.41
TSHR P16473 3/20 0.41
HTR1A P08908 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRK1 P41145 1/20 0.41
TNNC1 P63316 1/20 0.41
ADRB3 P13945 2/20 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
SCHEMBL10567660 0.92 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9655814 0.92 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9656771 0.90 CYP1A2 (0.44) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9654423 0.89 MAPT (0.43) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9654443 0.89 MAPT (0.46) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9656654 0.88 ADRB2 (0.47) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9655863 0.87 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9656799 0.87 PDE3B (0.46) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9657593 0.86 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9657940 0.85 PDE3B (0.46) PDE3BPDE3AMAPTSMN1; SMN2TSHR

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
EP-0259835-B1 PYRIDAZINONE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1992-01-15 EP disclosed
US-4843072-A Antihypertensive pyridazinone aminoisopropanol derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1989-06-27 US disclosed