SCHEMBL4381027

SCHEMBL4381027

O=Cc1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SRC P12931 1/20 0.38
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FURIN P09958 1/20 0.36

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
SCHEMBL4384169 0.83 ALDH1A1 (0.48) RAB9ACA9MEN1KMT2A
SCHEMBL7994413 0.80 HCAR2 (0.41) MAOB
SCHEMBL4383478 0.80 CHRNB2 (0.47)
SCHEMBL4394341 0.79 MCL1 (0.37) KMT2A
SCHEMBL15329921 0.78 MAOA (0.40) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29951392 0.78 MAOA (0.40) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30724528 0.78 MAOA (0.64) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL4392060 0.77 ALDH1A1 (0.49) NPC1TDP1KMT2A
SCHEMBL4381409 0.77 CHRNB2 (0.52) RAB9A
Oxalic Acid SCHEMBL4394339 0.77 CNR1 (0.42) MEN1KMT2A

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