SCHEMBL7987248

SCHEMBL7987248

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
LSS P48449 2/20 0.45
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7961327 0.89 RAB9A (0.43) HRH3LMNAALDH1A1
SCHEMBL7987181 0.88 GAA (0.55) HRH3PPARGPPARAPPARDLMNA
SCHEMBL7974440 0.84 GAA (0.56) HRH3PPARGPPARALMNASMN1; SMN2
SCHEMBL4376187 0.83 L3MBTL1 (0.59) HRH3HRH2HRH1LMNASMN1; SMN2
SCHEMBL4379847 0.82 HTR2A (0.42) HRH3LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL7977335 0.81 SMN1; SMN2 (0.51) HRH3HRH2HRH1SMN1; SMN2GAA
SCHEMBL4376108 0.80 NPC1 (0.48) HRH3HRH1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL7988256 0.80 HPGD (0.55) HRH2HRH1LMNASMN1; SMN2KDM4E
SCHEMBL4392013 0.80 HRH3 (0.43) HRH3GAA
SCHEMBL8795425 0.79 FFAR1 (0.39) PPARGPPARALMNASMN1; SMN2FAAH

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