SCHEMBL612968

SCHEMBL612968

NC(=O)N1CCNCC1.c1cc2sccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.40
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HTR2C P28335 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR6 P50406 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DAO P14920 1/20 0.33
HPGD P15428 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31

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
Piperazine SCHEMBL27832851 0.78 HTR2C (0.33) HRH4HTR2CADRB1HTR6DAO
SCHEMBL220723 0.73
Acetic Acid SCHEMBL20362288 0.72 DAO (0.46) HRH4POLBDAOHPGD
SCHEMBL604553 0.71 HRH4 (0.74) HRH4SIGMAR1HRH3DAO
SCHEMBL2156749 0.71
SCHEMBL242268 0.71
SCHEMBL15577215 0.69 DAO (0.37) HRH4DAO
Benzene SCHEMBL28638889 0.69 SIGMAR1 (0.53) SIGMAR1OPRD1PARP1POLBRXFP1
SCHEMBL8029418 0.69 CA2 (0.52) HRH4SIGMAR1HRH3POLBRXFP1
SCHEMBL21065355 0.69 CA2 (0.52) SIGMAR1PARP1POLBRXFP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195195-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2019-02-05 US disclosed
US-20170056397-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-03-02 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-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
EP-2201982-A1 Histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-06-30 EP disclosed