SCHEMBL8177307

SCHEMBL8177307

CCC(C)N1CCc2cnc3c([N+](=O)[O-])cnn3c21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL8185997 0.80 KDM4E (0.45) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL8187531 0.79 KDM4E (0.34) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL8191383 0.79 HTR2A (0.34) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL8190726 0.78 KDM4E (0.35) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL8191815 0.78 KDM4E (0.33) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL8185648 0.78 KDM4E (0.37) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL8185193 0.78 KDM4E (0.33) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL8190629 0.77 POLB (0.39) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL8176836 0.77 KDM4E (0.32) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL8186151 0.77 KDM4E (0.34) ALDH1A1POLBL3MBTL1NPC1RAB9A

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-6057330-A USEFUL FOR THE PREVENTION AND TREATMENT OF A RESPIRATORY DISEASES REPRESENTED BY ASTHMA POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-05-02 US disclosed