SCHEMBL6433453

SCHEMBL6433453

CCCc1n[nH]c2c(=O)n(-c3cc(C(=O)N4CCN(C)CC4)ccc3OCC)c(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 3/20 0.41
LRRK2 Q5S007 3/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE5A O76074 1/20 0.39
PDE6C P51160 1/20 0.39
HIF1A Q16665 1/20 0.39
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
PARP1 P09874 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL7019550 0.85 PDE5A (0.46) NPSR1KMT2ALRRK2USP2HSD17B10
SCHEMBL7019558 0.79 PARP1 (0.41) NPSR1KMT2ALRRK2USP2HSD17B10
SCHEMBL29707546 0.70 PDE5A (0.77) KMT2AHPGDPDE5APDE6CMEN1
SCHEMBL145682 0.70 PDE5A (0.77) KMT2AHPGDPDE5APDE6CMEN1
SCHEMBL3671938 0.69 PDE5A (0.63) PDE5APDE6C
SCHEMBL5085819 0.68 PDE5A (0.65) KMT2AHSD17B10PDE5APDE6CMEN1
SCHEMBL12125049 0.67 NPSR1 (0.66) NPSR1KMT2ALRRK2HSD17B10HPGD
Citric Acid SCHEMBL18919600 0.67 PDE5A (0.68) PDE5APDE6C
SCHEMBL8344627 0.67 PDE5A (0.70) PDE5APDE6C
SCHEMBL25013643 0.66 PDE5A (0.75) KMT2AHPGDPDE5APDE6CMEN1

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-1511494-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION Unimed Pharmaceuticals, Inc. (US) 2005-03-09 EP disclosed
WO-2004091631-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION UNIMED PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed