SCHEMBL7767977

SCHEMBL7767977

[CH2]CC(C)(C)C(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
HRH1 P35367 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
TAAR1 Q96RJ0 5/20 0.40
TRPA1 O75762 3/20 0.37
SLC6A4 P31645 2/20 0.37
AOC3 Q16853 2/20 0.36
HTR2A P28223 2/20 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
SCHEMBL8608404 0.80 RIPK1 (0.41) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL68538 0.80 RIPK1 (0.45) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL8127525 0.78 RIPK1 (0.44) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL11543845 0.78 RIPK1 (0.48) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL17854020 0.77 RIPK1 (0.47) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL20306752 0.77 RIPK1 (0.45) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL8553662 0.76 ALDH1A1 (0.44) SLC6A4AOC3
SCHEMBL13957168 0.76 RIPK1 (0.39) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL14431333 0.74 TAAR1 (0.50) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL416895 0.74 TAAR1 (0.50) RIPK1HRH1SLC6A3CACNA1FCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105112-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
WO-2000009108-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed