SCHEMBL7987202

SCHEMBL7987202

O=C(Cc1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
STS P08842 1/20 0.45
FFAR1 O14842 1/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLA2G4B P0C869 1/20 0.42
SRD5A2 P31213 2/20 0.42
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 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
SCHEMBL7987181 0.85 GAA (0.55) MAPTL3MBTL1GAAMEN1KMT2A
SCHEMBL7977335 0.83 SMN1; SMN2 (0.51) HRH2HRH1MAPTL3MBTL1RAB9A
SCHEMBL4386635 0.81 RAB9A (0.48) MAPTL3MBTL1RAB9AGAANPC1
SCHEMBL7994845 0.81 L3MBTL1 (0.48) HRH2HRH1MAPTL3MBTL1NPC1
SCHEMBL7987565 0.81 L3MBTL1 (0.55) HRH2HRH1MAPTL3MBTL1NPC1
SCHEMBL8934857 0.80 HRH3 (0.39) GAAPPARGPPARA
SCHEMBL4378557 0.80 POLB (0.42) FFAR1L3MBTL1
SCHEMBL4376187 0.80 L3MBTL1 (0.59) HRH2HRH1MAPTL3MBTL1GAA
SCHEMBL7987591 0.80 HRH3 (0.42) MAPTL3MBTL1
SCHEMBL7974440 0.79 GAA (0.56) MAPTL3MBTL1GAAMEN1KMT2A

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