SCHEMBL7987565

SCHEMBL7987565

CCCC(=O)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
MMP1 P03956 1/20 0.49
HRH2 P25021 5/20 0.48
HRH1 P35367 5/20 0.48
THRB P10828 4/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD4 P21917 1/20 0.48
ACHE P22303 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL7990745 0.93 HRH2 (0.57) L3MBTL1HRH2HRH1THRBTHRA
SCHEMBL7987723 0.92 HRH2 (0.56) L3MBTL1HRH2HRH1THRBTHRA
SCHEMBL7977335 0.90 SMN1; SMN2 (0.51) L3MBTL1HRH2HRH1HRH3MAPT
SCHEMBL7994845 0.88 L3MBTL1 (0.48) L3MBTL1HRH2HRH1HRH3MAPT
SCHEMBL7977269 0.84 CES2 (0.45) L3MBTL1MMP1HRH3
SCHEMBL4376187 0.84 L3MBTL1 (0.59) L3MBTL1HRH2HRH1ALDH1A1LMNA
SCHEMBL7987591 0.84 HRH3 (0.42) L3MBTL1MMP1HRH3MAPT
SCHEMBL4381007 0.83 SMN1; SMN2 (0.52) L3MBTL1HRH2HRH1HRH3MAPT
SCHEMBL7977277 0.83 GAA (0.43) L3MBTL1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4383468 0.83 KDM4E (0.44) L3MBTL1ALDH1A1LMNACYP1A2CYP2D6

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