SCHEMBL5823680

SCHEMBL5823680

CCCC(N)(O)Cc1ccc2[nH]c(CN3CCCC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
CHEK1 O14757 5/20 0.39
DRD2 P14416 11/20 0.38
DRD3 P35462 11/20 0.38
DRD4 P21917 6/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
OPRK1 P41145 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
SCHEMBL5917599 0.79 CHEK1 (0.52) HRH4HRH3CHEK1DRD2DRD3
SCHEMBL5793647 0.78 HRH4 (0.47) HRH4HRH3CHEK1DRD2DRD3
SCHEMBL5917611 0.74 CHEK1 (0.46) HRH4HRH3CHEK1KDM4EALDH1A1
SCHEMBL5917666 0.73 HRH4 (0.40) HRH4HRH3CHEK1DRD2DRD3
SCHEMBL27754149 0.73 CHEK1 (0.42) HRH3CHEK1HPGD
SCHEMBL5793515 0.72 HRH3 (0.45) HRH4HRH3CHEK1DRD3DRD4
SCHEMBL5796117 0.72 CHEK1 (0.58) HRH4HRH3CHEK1KDM4EALDH1A1
SCHEMBL5794513 0.72 DRD2 (0.46) HRH4HRH3CHEK1DRD2DRD3
SCHEMBL5917615 0.72 HRH3 (0.52) HRH4HRH3CHEK1DRD2DRD3
SCHEMBL5917635 0.71 HRH4 (0.46) HRH4CHEK1DRD2DRD3DRD4

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-2006035308-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-04-06 WO disclosed