SCHEMBL9493203

SCHEMBL9493203

CCC(C)(C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
RIPK1 Q13546 3/20 0.42
HRH1 P35367 4/20 0.39
SLC6A3 Q01959 2/20 0.39
CACNA1F O60840 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
CACNA1D Q01668 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
TAAR1 Q96RJ0 4/20 0.38
HTR2A P28223 4/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL18898419 0.88 TSHR (0.45) LMNAHRH1SLC6A3CHRM2CHRM1
SCHEMBL8860874 0.82 RIPK1 (0.44) LMNARIPK1HRH1SLC6A3CACNA1F
SCHEMBL8608404 0.79 RIPK1 (0.41) LMNARIPK1HRH1SLC6A3CACNA1F
SCHEMBL68538 0.79 RIPK1 (0.45) LMNARIPK1HRH1SLC6A3CACNA1F
SCHEMBL4329684 0.79 RIPK1 (0.41) LMNARIPK1HRH1SLC6A3CACNA1F
SCHEMBL8634300 0.79 RIPK1 (0.44) LMNARIPK1HRH1SLC6A3CACNA1F
SCHEMBL23394679 0.79 RIPK1 (0.33) RIPK1HRH1SLC6A3CACNA1FCHRM2
SCHEMBL27450995 0.79 RIPK1 (0.41) LMNARIPK1HTR2A
SCHEMBL9817040 0.78 LMNA (0.44) LMNARIPK1HRH1TAAR1HTR2A
SCHEMBL1823949 0.77 TRPA1 (0.55) LMNARIPK1HRH1SLC6A3CACNA1F

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
US-5180799-A Organolithium-Organoaluminum Catalyst IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-19 US disclosed
EP-0434316-A1 Processes ZENECA LIMITED (GB) 1991-06-26 EP disclosed