SCHEMBL7670591

SCHEMBL7670591

CN1c2ccccc2-n2cc(Cc3ccccc3)c(=O)c3cccc1c32

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPT P10636 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTR6 P50406 1/20 0.36
NR1H2 P55055 1/20 0.36
FEN1 P39748 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
BRD4 O60885 2/20 0.35
PLA2G4A P47712 1/20 0.35
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7671417 0.87 GAA (0.39) ALDH1A1KDM4E
SCHEMBL7672504 0.79 NR1H2 (0.40) PDE3BPDE3AMAPTADORA2AADORA1
SCHEMBL8867321 0.75 THRB (0.37) ALDH1A1NR1H2FEN1TOP2ATOP2B
SCHEMBL11494803 0.69 PDE3B (0.43) PDE3BPDE3AADORA2AADORA1ALDH1A1
SCHEMBL7664619 0.69 COMT (0.36) MAPTADORA2AADORA1ALDH1A1KDM4E
SCHEMBL27691202 0.68 AKR1A1 (0.48) MAPTALDH1A1ATMKDM4EHTR6
SCHEMBL7666716 0.68 SMN1; SMN2 (0.39) MAPTALDH1A1ATMKDM4E
SCHEMBL7669227 0.68 VKORC1 (0.38) ALDH1A1KDM4EHPGDLMNASIRT2
SCHEMBL7668581 0.68 GSK3B (0.37) ALDH1A1
SCHEMBL12850750 0.63 GPR84 (0.79) ALDH1A1HTR6LMNAGPR84

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-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed