SCHEMBL4384666

SCHEMBL4384666

O=CCc1ccc(OCCCc2c[nH]cn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
FFAR1 O14842 7/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL4385152 0.86 LTA4H (0.32) LTA4HFFAR1HTR1AHTR1DHTR1B
SCHEMBL4386379 0.86 KCNH2 (0.35) MEN1CYP1A2MAPTTSHRKMT2A
SCHEMBL4386278 0.81 HRH3 (0.35) FFAR1HRH3CYP4F2CYP4A11
SCHEMBL4376189 0.81 KCNH2 (0.37) FFAR1MAPTKCNH2HRH3
SCHEMBL4384663 0.76 MAOB (0.49)
SCHEMBL7961327 0.75 RAB9A (0.43) LTA4HMEN1KMT2AHTR1AKCNH2
SCHEMBL7991076 0.74 CRBN (0.39)
SCHEMBL4384169 0.74 ALDH1A1 (0.48) MEN1MAPTKMT2AKCNH2
SCHEMBL4392001 0.74 KCNH2 (0.33) MEN1KMT2AKCNH2HRH3
SCHEMBL7988201 0.74 FFAR1 (0.37) FFAR1MAPTKCNH2HRH3

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 5 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
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP 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