SCHEMBL8483552

SCHEMBL8483552

[O]c1ccccc1NC(=O)N1CCN(C2CCNCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNH2 Q12809 2/20 0.41
NAMPT P43490 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR3 P51677 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 2/20 0.39

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
SCHEMBL8776666 0.83 POLB (0.67) POLBKDM4EALDH1A1NAMPTCYP1A2
Hydrochloric Acid SCHEMBL8483986 0.82 POLB (0.46) POLBHRH3KDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8524812 0.82 POLB (0.43) POLBHRH3KDM4EALDH1A1TDP1
SCHEMBL8776675 0.79 POLB (0.50) POLBKCNH2NAMPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8486204 0.79 KDM4E (0.41) POLBHRH3KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL8483206 0.77 POLB (0.41) POLBHRH3KDM4EALDH1A1HSD17B10
SCHEMBL8776646 0.76 GAA (0.54) POLBKCNH2NAMPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8483957 0.76 KDM4E (0.39) POLBHRH3KDM4EALDH1A1TDP1
SCHEMBL8484034 0.73 KDM4E (0.46) POLBKDM4EALDH1A1TDP1HSD17B10
SCHEMBL27554298 0.73 POLB (0.47) POLBHRH3NAMPTCYP2D6HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed