SCHEMBL8608404

SCHEMBL8608404

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.41
HRH1 P35367 4/20 0.38
SLC6A3 Q01959 3/20 0.38
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
TAAR1 Q96RJ0 4/20 0.37
HTR2A P28223 4/20 0.37
LMNA P02545 1/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36

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
SCHEMBL7767977 0.80 RIPK1 (0.44) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL9493203 0.79 LMNA (0.43) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL4329684 0.77 RIPK1 (0.41) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL8634300 0.77 RIPK1 (0.44) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL8860874 0.76 RIPK1 (0.44) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL1823949 0.76 TRPA1 (0.55) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL4356262 0.74 RIPK1 (0.42) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL8607432 0.74 RIPK1 (0.42) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL23880379 0.73 RIPK1 (0.40) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL27450995 0.72 RIPK1 (0.41) RIPK1HTR2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832158-A1 GELS MADE FROM TRIBLOCK COPOLYMERS RAYCHEM LIMITED (GB) 1998-04-01 EP disclosed
WO-1997041160-A1 ALKYL METHACRYLATE POLYMERS N V RAYCHEM S A (BE) 1997-11-06 WO disclosed
WO-1997000292-A1 GELS MADE FROM TRIBLOCK COPOLYMERS RAYCHEM LIMITED (GB) 1997-01-03 WO disclosed