SCHEMBL11273169

SCHEMBL11273169

c1cc(CCCN2CCCCC2)c2c(NCCCN3CCCCC3)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
HTR2A P28223 4/20 0.50
ACP1 P24666 4/20 0.43
HRH3 Q9Y5N1 3/20 0.43
HTR2C P28335 1/20 0.42
HTR6 P50406 1/20 0.42
HTR1A P08908 1/20 0.40
BACE1 P56817 1/20 0.39
ILK Q13418 1/20 0.39
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38

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
SCHEMBL10831519 0.80 HRH3 (0.55) ACP1HRH3
SCHEMBL10831606 0.80 HRH3 (0.55) ACP1HRH3
SCHEMBL10831339 0.79 HRH3 (0.53) HTR2AACP1HRH3HTR1A
SCHEMBL11206157 0.79 HTR2A (0.49) SLC6A2HTR2AHTR2CHTR6HTR1A
SCHEMBL10831306 0.76 HRH3 (0.54) HTR2AACP1HRH3HTR1A
SCHEMBL11147779 0.72 KAT2B (0.54) ACP1HRH3ILK
SCHEMBL10831286 0.72 KAT2B (0.54) ACP1HRH3ILK
SCHEMBL10369412 0.71 HRH3 (0.53) ACP1HRH3
SCHEMBL10371164 0.71 HRH3 (0.53) ACP1HRH3
SCHEMBL10368034 0.71 HRH3 (0.45) ACP1HRH3

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-0049779-A1 3-Aminoindazole derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-21 EP disclosed