SCHEMBL7670693

SCHEMBL7670693

O=C1CCn2c3ccccc3c(=O)c3cccc1c32

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA4 P51532 4/20 0.41
PBRM1 Q86U86 3/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PABPC1 P11940 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GLA P06280 2/20 0.37
DHFR P00374 1/20 0.36
P2RX4 Q99571 2/20 0.36
ATM Q13315 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD4 P21917 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL6981939 0.90 PIM1 (0.42) SMARCA4PBRM1KDM4EHPGDHSD17B10
SCHEMBL6982876 0.77 MAPT (0.36) KDM4EHPGDHSD17B10ALDH1A1ATM
SCHEMBL6977937 0.77 MEN1 (0.40) KDM4EHPGDHSD17B10PABPC1ALDH1A1
SCHEMBL13703783 0.75 KDM4E (0.39) SMARCA4KDM4EHPGDALDH1A1P2RX4
SCHEMBL6982969 0.75 KMT2A (0.46) KDM4EHSD17B10PABPC1ALDH1A1
SCHEMBL5273693 0.74 PARP1 (0.44) KDM4EHPGDHSD17B10DHFR
SCHEMBL13851541 0.73 MEN1 (0.61) KDM4EHPGDHSD17B10PABPC1ALDH1A1
SCHEMBL13703630 0.73 MAPT (0.49) KDM4EHPGDALDH1A1P2RX4ATM
SCHEMBL6971871 0.73 MAPT (0.44) KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL7005451 0.72 HTR3A (0.36) KDM4EHPGDHSD17B10PABPC1ALDH1A1

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