SCHEMBL604904

SCHEMBL604904

Nc1nc(-c2cccc(C(F)(F)F)c2)cc(N2CC3CCCNC3C2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.58
ROCK1 Q13464 1/20 0.41
XDH P47989 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCN2A Q99250 1/20 0.40
DPP4 P27487 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL17908153 1.00 HRH4 (0.58) HRH4ROCK1XDHUSP2LMNA
Hydrochloric Acid SCHEMBL605320 0.99 HRH4 (0.57) HRH4ROCK1XDHUSP2LMNA
SCHEMBL18550556 0.95 HRH4 (0.52) HRH4ROCK1XDHUSP2LMNA
SCHEMBL605957 0.87 HRH4 (0.61) HRH4ROCK1USP2LMNATSHR
Hydrochloric Acid SCHEMBL606452 0.86 HRH4 (0.60) HRH4ROCK1USP2LMNATSHR
SCHEMBL602797 0.86 HRH4 (0.67) HRH4ROCK1USP2LMNATSHR
SCHEMBL606443 0.85 HRH4 (0.61) HRH4ROCK1USP2LMNATSHR
SCHEMBL606559 0.85 HRH4 (0.61) HRH4ROCK1USP2LMNATSHR
Hydrochloric Acid SCHEMBL607197 0.85 HRH4 (0.66) HRH4ROCK1USP2LMNATSHR
Hydrochloric Acid SCHEMBL603172 0.84 HRH4 (0.60) HRH4ROCK1USP2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005054239-A1 2-AMINOPYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-06-16 WO claimed
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 EP disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
EP-3130376-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-02-15 EP disclosed
US-9526725-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2016-12-27 US disclosed
EP-2382013-B1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-07-13 EP disclosed
US-20150176010-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2015-06-25 US disclosed
EP-2858647-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2015-04-15 EP disclosed
WO-2013182711-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2013-12-12 WO disclosed
US-20120039913-A1 Selective Histamine H4 Receptor Antagonists for the Treatment of Vestibular Disorders INSERM (institut National de la Sante de la Recher Medicale) (FR) 2012-02-16 US disclosed
EP-2382013-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-11-02 EP disclosed
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed
WO-2005054239-A1 2-AMINOPYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-06-16 WO disclosed