SCHEMBL10596133

SCHEMBL10596133

O=C1CCC(c2ccc3c(c2)CCCN3)=NN1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.61
PDE3A Q14432 12/20 0.61
PDE4B Q07343 8/20 0.53
PDE4A P27815 7/20 0.53
PDE4C Q08493 7/20 0.53
PDE4D Q08499 7/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 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
SCHEMBL10595977 0.81 PDE3B (0.64) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL9639013 0.80 PDE3B (0.49) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10519175 0.80 PDE3B (0.56) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL2930091 0.77 PDE3B (0.63) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7417981 0.77 PDE3B (0.57) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL28695339 0.77 KIF11 (0.60) PDE3BPDE3ASMN1; SMN2KDM4EMAPT
SCHEMBL7341641 0.76 PDE3B (1.00) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL11326849 0.76 PDE3B (0.70) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10835125 0.75 PDE3B (0.59) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10353452 0.75 SMN1; SMN2 (0.81) PDE3BPDE3APDE4BPDE4APDE4C

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-0155798-B1 PYRIDAZONE INOTROPIC AGENTS ELI LILLY AND COMPANY (US) 1989-02-08 EP disclosed
US-4258185-A HYPOTENSIVE, ANTITHROMBOTIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1981-03-24 US disclosed