SCHEMBL10986407

SCHEMBL10986407

N#Cc1c(N2CCN(CCCOc3ccccc3)CC2)n[nH]c1N

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.54
▸ DRD2 P14416 3/20 0.54
▸ HTR2A P28223 3/20 0.54
▸ DRD3 P35462 3/20 0.54
▸ TMEM97 Q5BJF2 3/20 0.54
▸ SIGMAR1 Q99720 3/20 0.54
▸ HRH1 P35367 3/20 0.54
▸ PRKACA P17612 1/20 0.53
▸ PRKACG P22612 1/20 0.53
▸ PRKACB P22694 1/20 0.53
▸ HRH2 P25021 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL10990237 0.97 PRKACA (0.52) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL10992605 0.94 PRKACA (0.54) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL16826405 0.74 DRD2 (0.59) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL7033807 0.74 HTR1A (0.80) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL11199379 0.71 HTR1A (0.59) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL10844253 0.71 HRH3 (0.49) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL10986152 0.71 PRKACA (0.48) HTR1ADRD2HTR2ADRD3PRKACA
SCHEMBL16825679 0.71 HTR1A (0.54) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9349929 0.70 SIGMAR1 (0.69) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL9349920 0.70 SIGMAR1 (0.69) HTR1ADRD2HTR2ADRD3TMEM97

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
US-4562189-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1985-12-31 — — US claimed
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