SCHEMBL4386635

SCHEMBL4386635

c1ccc(COc2ccc(OCCCc3c[nH]cn3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 5/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
LTA4H P09960 2/20 0.47
EPHX2 P34913 1/20 0.47
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL8795401 0.86 HTR1A (0.44) MAPTLTA4HL3MBTL1ALDH1A1
Proxyfan SCHEMBL4072620 0.85 HRH3 (0.54) LTA4HL3MBTL1ALDH1A1
SCHEMBL4384300 0.85 LTA4H (0.51) LTA4H
Hydrochloric Acid SCHEMBL7977196 0.82 LTA4H (0.51) RAB9ANPC1LMNAMAPTLTA4H
SCHEMBL7991343 0.81 HRH3 (0.46) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL7987202 0.81 HRH2 (0.48) RAB9ANPC1MAPTL3MBTL1GAA
SCHEMBL7960978 0.81 HRH3 (0.47) LMNA
SCHEMBL7987181 0.80 GAA (0.55) SMN1; SMN2LMNAMAPTLTA4HCYP2C19
SCHEMBL8934857 0.80 HRH3 (0.39) GAAKDM4E
Proxyfan SCHEMBL15130144 0.80 HRH3 (0.48) RAB9ASMN1; SMN2NPC1LMNAL3MBTL1

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 4 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
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed