SCHEMBL2385357

SCHEMBL2385357

C[C]1C=CC=C(F)C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL8022678 0.74
SCHEMBL7206159 0.68
SCHEMBL19314109 0.62
SCHEMBL28852321 0.58
SCHEMBL22812880 0.58
Xenon SCHEMBL14122236 0.57
SCHEMBL21662353 0.56
SCHEMBL32665754 0.56
SCHEMBL9252865 0.54
SCHEMBL283495 0.53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO claimed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US claimed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
US-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 US disclosed
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
EP-1784390-A2 SUBSTITUTED BENZOFUSED HETEROCYCLES Amgen Inc. (US) 2007-05-16 EP disclosed
US-20060199796-A1 Substituted benzofused heterocycles AMGEN INC. (US) 2006-09-07 US disclosed
WO-2006020959-A2 SUBSTITUTED BENZOFUSED HETEROCYCLES AMGEN INC. (US) 2006-02-23 WO disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed