SCHEMBL7988259

SCHEMBL7988259

CC(CN(CCCc1c[nH]cn1)C(=O)O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.35
HRH2 P25021 3/20 0.34
BRD4 O60885 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
NISCH Q9Y2I1 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
RAF1 P04049 1/20 0.32
MAP2K1 Q02750 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TACR1 P25103 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL7977296 0.84 PTGDR2 (0.43) PTGDR2KDM4EHRH1
SCHEMBL8809016 0.82 HRH4 (0.30) HRH4HRH3
SCHEMBL4379614 0.82 BRD4 (0.33) BRD4PTGDR2KDM4EHRH1
SCHEMBL4376051 0.78 POLB (0.33) PTGDR2KDM4E
SCHEMBL28986115 0.76 GAA (0.46) AOC3TACR1
SCHEMBL7991354 0.75
SCHEMBL7975009 0.74 HPGD (0.56) HRH2HRH4TACR1HRH1HRH3
SCHEMBL7975013 0.74 HPGD (0.56) HRH2HRH4TACR1HRH1HRH3
SCHEMBL7975015 0.74 HPGD (0.56) HRH2HRH4TACR1HRH1HRH3
SCHEMBL4382548 0.73 NPC1 (0.47) HRH4HRH3

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed