SCHEMBL18486264

SCHEMBL18486264

Cc1nc(N2C[CH]CC2)c2oc3ccc(Cl)cc3c2n1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.72
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HRH3 Q9Y5N1 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL4735912 0.86 HRH4 (0.71) HRH4HRH3
SCHEMBL603693 0.84 HRH4 (1.00) HRH4KDM4EMAPTRECQLNPSR1
SCHEMBL603973 0.82 HRH4 (0.69) HRH4KDM4EMAPTKMT2ALMNA
SCHEMBL604823 0.78 HRH4 (0.74) HRH4MAPTNPSR1HRH3MEN1
SCHEMBL2166354 0.78 HRH4 (0.74) HRH4MAPTNPSR1HRH3MEN1
SCHEMBL2166543 0.78 HRH4 (1.00) HRH4HRH3
SCHEMBL2166541 0.78 HRH4 (1.00) HRH4HRH3
SCHEMBL14565235 0.76 HRH4 (0.85) HRH4HRH3
SCHEMBL4594250 0.75 HRH4 (0.65) HRH4KDM4EMAPTHRH3
SCHEMBL4594254 0.75 HRH4 (0.65) HRH4KDM4EMAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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