SCHEMBL7664012

SCHEMBL7664012

CC(=O)N1c2ccccc2N2CCC(=O)c3cccc1c32

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.45
CES1 P23141 1/20 0.45
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SRD5A1 P18405 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL7670841 0.81 SRD5A1 (0.40) NOTUMCES1POLBALDH1A1KDM4E
SCHEMBL68594 0.72 NOTUM (0.72) NOTUMPOLBALDH1A1KDM4EGLA
SCHEMBL5126303 0.72 SMN1; SMN2 (0.68) NOTUMCES1POLBSMN1; SMN2GAA
SCHEMBL7663992 0.72 P2RX4 (0.41) POLBSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL2609255 0.71 ALDH1A1 (0.43) SMN1; SMN2NOX1ALDH1A1KDM4EALOX15
SCHEMBL642025 0.68 NOTUM (0.70) NOTUMPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8140930 0.67 ALDH1A1 (0.72) NOTUMCES1POLBSMN1; SMN2GAA
Acetic Acid SCHEMBL29684240 0.66 NOTUM (0.52) NOTUMCES1POLBSMN1; SMN2ALDH1A1
SCHEMBL11752800 0.66 GLA (0.50) NOTUMPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL19269127 0.66 RAB9A (0.39) NOTUMSMN1; SMN2GAAALDH1A1KDM4E

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