SCHEMBL10567660

SCHEMBL10567660

Cc1cccc(OCC(O)CNC(C)(C)CNc2ccc(C3=NNC(=O)CC3C)cc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.45
PDE3A Q14432 9/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB2 P07550 5/20 0.40
TSHR P16473 2/20 0.40
ADRB1 P08588 2/20 0.40
HTR1A P08908 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
OPRK1 P41145 1/20 0.40
TNNC1 P63316 1/20 0.40
CASR P41180 3/20 0.39

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
SCHEMBL9656654 0.93 ADRB2 (0.47) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9657573 0.92 PDE3B (0.46) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9655814 0.91 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9654426 0.89 MAPT (0.46) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9656771 0.89 CYP1A2 (0.44) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9654423 0.88 MAPT (0.43) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9657593 0.88 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2TSHR
SCHEMBL9657434 0.86 CASR (0.51) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9655863 0.86 PDE3B (0.45) PDE3BPDE3AMAPTSMN1; SMN2ADRB2
SCHEMBL9655934 0.86 PDE3B (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4843072-A Antihypertensive pyridazinone aminoisopropanol derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1989-06-27 US disclosed