SCHEMBL605958

SCHEMBL605958

CNCCc1cccc2c1oc1c(N)nc(N)nc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTT P42858 1/20 0.34
DHFR P00374 2/20 0.34
HRH4 Q9H3N8 2/20 0.33
NQO2 P16083 1/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL14998807 0.68 IAPP (0.45) TAAR1KDM4EALDH1A1HTR1AHTR2A
SCHEMBL13771839 0.67 LIMK1 (0.60) KDM4EALDH1A1HTTHRH4
SCHEMBL606293 0.64 MTNR1A (0.63) TAAR1KDM4EALDH1A1HTR1AHTR2A
Hydrochloric Acid SCHEMBL27581438 0.63 MTNR1A (0.61) TAAR1KDM4EALDH1A1HTR1AHTR2A
SCHEMBL8082610 0.62 HTR2A (0.48) TAAR1KDM4EALDH1A1HTR1AHTR2A
SCHEMBL604790 0.62 HRH4 (0.37) DHFRHRH4
SCHEMBL28814208 0.62 DHFR (0.47) DHFR
Hydrochloric Acid SCHEMBL3343899 0.60 DHFR (0.46) DHFR
SCHEMBL15985140 0.60 TAAR1 (0.42) TAAR1KDM4EALDH1A1HTR1AHTR2A
SCHEMBL5101510 0.60 TAAR1 (0.59) TAAR1KDM4EALDH1A1HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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