SCHEMBL7994845

SCHEMBL7994845

O=C(CCCO)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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 0.88 HRH2 (0.57) L3MBTL1HRH2HRH1
SCHEMBL7987565 0.88 L3MBTL1 (0.55) L3MBTL1NPC1MAPTHRH2HRH1
SCHEMBL7987723 0.87 HRH2 (0.56) L3MBTL1HRH2HRH1
SCHEMBL7977335 0.85 SMN1; SMN2 (0.51) L3MBTL1NPC1MAPTHRH2HRH1
SCHEMBL4376187 0.82 L3MBTL1 (0.59) L3MBTL1MAPTHRH2HRH1HRH3
SCHEMBL7987591 0.81 HRH3 (0.42) L3MBTL1MAPTHRH3
SCHEMBL7987202 0.81 HRH2 (0.48) L3MBTL1NPC1MAPTHRH2HRH1
SCHEMBL7987181 0.80 GAA (0.55) L3MBTL1MAPTHRH3
SCHEMBL4376108 0.79 NPC1 (0.48) L3MBTL1NPC1HRH1HRH3
SCHEMBL4379129 0.79 FFAR1 (0.39)

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