SCHEMBL4390050

SCHEMBL4390050

c1ccc(CCCCCCc2c[nH]cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
SIGMAR1 Q99720 11/20 0.44
MAOA P21397 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAOB P27338 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DHFR P00374 1/20 0.40

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
SCHEMBL10743482 0.95 HTR2A (0.42) HRH3SIGMAR1MAOAMAOBDHFR
SCHEMBL7974633 0.88 HRH3 (0.44) HRH3
SCHEMBL1753940 0.87 KCNH2 (0.50) HRH3MAOAMAOB
SCHEMBL7974366 0.87 CA2 (0.43) HRH3SIGMAR1MAOAMAOB
SCHEMBL7960978 0.87 HRH3 (0.47) HRH3
SCHEMBL7974364 0.84 HDAC1 (0.49) MAPTRXFP1
SCHEMBL7972837 0.84 HRH3 (0.36) HRH3SIGMAR1MAOAMAOB
SCHEMBL7971454 0.84 TRPA1 (0.40) HRH3DHFR
SCHEMBL7621857 0.84 HRH3 (0.39) HRH3SIGMAR1MAOAMAOB
SCHEMBL8116500 0.83 HRH3 (0.38) HRH3MAOAMAOB

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 6 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
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 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-1996030048-A1 PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1996-10-03 WO 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