SCHEMBL3468993

SCHEMBL3468993

Nc1nccc(CC2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
KDM5A P29375 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
CDK2 P24941 2/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HTR6 P50406 3/20 0.36
NFE2L2 Q16236 1/20 0.36
MCHR1 Q99705 1/20 0.35

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
SCHEMBL31403610 0.95 HRH3 (0.39) HRH3KDM5BKDM5AHRH4MCHR1
SCHEMBL31403748 0.85 DHFR (0.40) HRH3CYP11B2TSHRHRH4CDK2
SCHEMBL24017222 0.81 NUDT1 (0.35) HRH3HRH4HTR6MCHR1
SCHEMBL31403581 0.78 MCHR1 (0.40) HRH3HRH4MCHR1
SCHEMBL28260875 0.76 NFE2L2 (0.39) HRH3KDM5BKDM5ANPC1RAB9A
SCHEMBL26738184 0.74 HTR6 (0.34) KDM5BKDM5ACYP11B2NPC1RAB9A
SCHEMBL18502898 0.72 CYP11B2 (0.54) HRH3CYP11B2HRH4CDK2HTR6
SCHEMBL22606727 0.71 FFAR4 (0.41) CYP11B2NPC1RAB9ATSHRRECQL
SCHEMBL3188454 0.71 HTR6 (0.38) CYP11B2HRH4CDK2CCNA2CCNA1
SCHEMBL482011 0.70 CYP11B2 (0.41) HRH3CYP11B2HRH4CDK2CCNA2

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
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