SCHEMBL7987723

SCHEMBL7987723

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.56
HRH1 P35367 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
THRA P10827 6/20 0.53
THRB P10828 6/20 0.53

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 0.99 HRH2 (0.57) HRH2HRH1L3MBTL1THRATHRB
SCHEMBL7987565 0.92 L3MBTL1 (0.55) HRH2HRH1L3MBTL1THRATHRB
SCHEMBL7994845 0.87 L3MBTL1 (0.48) HRH2HRH1L3MBTL1
SCHEMBL7977335 0.87 SMN1; SMN2 (0.51) HRH2HRH1L3MBTL1
SCHEMBL7977269 0.84 CES2 (0.45) L3MBTL1
SCHEMBL7987718 0.83 PLA2G4B (0.46) L3MBTL1
SCHEMBL4376187 0.81 L3MBTL1 (0.59) HRH2HRH1L3MBTL1
SCHEMBL7987591 0.81 HRH3 (0.42) L3MBTL1
SCHEMBL4381007 0.80 SMN1; SMN2 (0.52) HRH2HRH1L3MBTL1
SCHEMBL4383858 0.79 KDM4E (0.46) L3MBTL1

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